13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol

C20H22BrNO — CID 20537450

IUPAC13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol
SMILESOc1ccc2c(c1)CC1CCC(C2)C1NCc1ccc(Br)cc1
InChIInChI=1S/C20H22BrNO/c21-18-6-1-13(2-7-18)12-22-20-15-3-4-16(20)10-17-11-19(23)8-5-14(17)9-15/h1-2,5-8,11,15-16,20,22-23H,3-4,9-10,12H2
InChIKeyMJGBBXOISFOJKW-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.44
Rot. Bonds3

About 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol

13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol (PubChem CID 20537450) has the molecular formula C20H22BrNO and a molecular weight of 372.31 g/mol. Its IUPAC name is 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol.

Molecular Properties

Compound Name13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol
PubChem CID20537450
Molecular FormulaC20H22BrNO
Molecular Weight372.31 g/mol
Exact Mass371.09
IUPAC Name13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol
SMILESOc1ccc2c(c1)CC1CCC(C2)C1NCc1ccc(Br)cc1
InChIInChI=1S/C20H22BrNO/c21-18-6-1-13(2-7-18)12-22-20-15-3-4-16(20)10-17-11-19(23)8-5-14(17)9-15/h1-2,5-8,11,15-16,20,22-23H,3-4,9-10,12H2
InChIKeyMJGBBXOISFOJKW-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol with MolForge

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Related Compounds

N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60734781
(6S)-6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 54398610
4-[[[(1S,10S)-13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl]amino]methyl]pyridin-2-amine
CID 125142978
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
2-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-5-ol
CID 19799155
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095730
4-[(cyclopentylamino)methyl]phenol
CID 3873791

Frequently Asked Questions

What is the IUPAC name of 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol?
The IUPAC name of 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol (CID 20537450) is 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol.
What is the SMILES notation for 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol?
The canonical SMILES for 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol is Oc1ccc2c(c1)CC1CCC(C2)C1NCc1ccc(Br)cc1.
What is the InChIKey of 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol?
The InChIKey is MJGBBXOISFOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO/c21-18-6-1-13(2-7-18)12-22-20-15-3-4-16(20)10-17-11-19(23)8-5-14(17)9-15/h1-2,5-8,11,15-16,20,22-23H,3-4,9-10,12H2.
What are the key properties of 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol?
13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol has a molecular weight of 372.31 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(4-bromophenyl)methylamino]tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-5-ol is sourced from PubChem (CID 20537450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).