5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane

C32H35Cl2NO — CID 159657178

IUPAC5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane
SMILESC.C.NC1c2ccccc2CCc2ccc(Cl)cc21.OC1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN.C15H13ClO.2CH4/c2*16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12;;/h1-4,7-9,15H,5-6,17H2;1-4,7-9,15,17H,5-6H2;2*1H4
InChIKeyMSIANFHGIDPZAP-UHFFFAOYSA-N
MW520.54 g/mol
LogP8.28
Rot. Bonds

About 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane

5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane (PubChem CID 159657178) has the molecular formula C32H35Cl2NO and a molecular weight of 520.54 g/mol. Its IUPAC name is 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane.

Molecular Properties

Compound Name5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane
PubChem CID159657178
Molecular FormulaC32H35Cl2NO
Molecular Weight520.54 g/mol
Exact Mass519.21
IUPAC Name5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane
SMILESC.C.NC1c2ccccc2CCc2ccc(Cl)cc21.OC1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C15H14ClN.C15H13ClO.2CH4/c2*16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12;;/h1-4,7-9,15H,5-6,17H2;1-4,7-9,15,17H,5-6H2;2*1H4
InChIKeyMSIANFHGIDPZAP-UHFFFAOYSA-N
XLogP8.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.54
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane with MolForge

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Related Compounds

6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
6-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 142258016
7-chloro-2-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene
CID 102268560
1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
CID 45043194
N-[[(2S)-5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]formamide
CID 129384381
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
CID 10490611
5-chloro-2,3-dihydro-1H-inden-2-amine;2,3-dihydro-1H-inden-2-amine
CID 167560808
2-chloro-9H-xanthen-9-ol
CID 12734111
1-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)-N,1-dimethylazetidin-1-ium-3-amine
CID 90475714
7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
CID 10058548
13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol;2,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 158900715
6-chloro-1-fluoro-2,3-dihydro-1H-indene
CID 84717388

Frequently Asked Questions

What is the IUPAC name of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane?
The IUPAC name of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane (CID 159657178) is 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane.
What is the SMILES notation for 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane?
The canonical SMILES for 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane is C.C.NC1c2ccccc2CCc2ccc(Cl)cc21.OC1c2ccccc2CCc2ccc(Cl)cc21.
What is the InChIKey of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane?
The InChIKey is MSIANFHGIDPZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN.C15H13ClO.2CH4/c2*16-12-8-7-11-6-5-10-3-1-2-4-13(10)15(17)14(11)9-12;;/h1-4,7-9,15H,5-6,17H2;1-4,7-9,15,17H,5-6H2;2*1H4.
What are the key properties of 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane?
5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane has a molecular weight of 520.54 g/mol, XLogP of 8.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-amine;5-chlorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol;methane is sourced from PubChem (CID 159657178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).