1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine

C18H20FN — CID 83985125

IUPAC1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
SMILESCCC(N)C1c2ccccc2CCc2cc(F)ccc21
InChIInChI=1S/C18H20FN/c1-2-17(20)18-15-6-4-3-5-12(15)7-8-13-11-14(19)9-10-16(13)18/h3-6,9-11,17-18H,2,7-8,20H2,1H3
InChIKeyPFMRRBSSULWGEC-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.79
Rot. Bonds2

About 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine

1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine (PubChem CID 83985125) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
PubChem CID83985125
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine
SMILESCCC(N)C1c2ccccc2CCc2cc(F)ccc21
InChIInChI=1S/C18H20FN/c1-2-17(20)18-15-6-4-3-5-12(15)7-8-13-11-14(19)9-10-16(13)18/h3-6,9-11,17-18H,2,7-8,20H2,1H3
InChIKeyPFMRRBSSULWGEC-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)butan-2-amine
CID 83985139
1-(9H-fluoren-9-yl)propan-1-amine
CID 79308072
1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propan-1-one
CID 83985409
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
methyl 2-amino-2-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)acetate
CID 83985245
2-amino-2-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetic acid
CID 83985173
ethyl 2-amino-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate;hydrochloride
CID 19385933
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405510
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine?
The IUPAC name of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine (CID 83985125) is 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine.
What is the SMILES notation for 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine?
The canonical SMILES for 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine is CCC(N)C1c2ccccc2CCc2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine?
The InChIKey is PFMRRBSSULWGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-2-17(20)18-15-6-4-3-5-12(15)7-8-13-11-14(19)9-10-16(13)18/h3-6,9-11,17-18H,2,7-8,20H2,1H3.
What are the key properties of 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine?
1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propan-1-amine is sourced from PubChem (CID 83985125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).