[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine

C18H14FN3 — CID 122185830

IUPAC[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
SMILESNCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN3/c19-12-7-5-11(6-8-12)17-18-15(9-13(10-20)21-17)14-3-1-2-4-16(14)22-18/h1-9,22H,10,20H2
InChIKeyQQXOJPNWJZOWRX-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.98
Rot. Bonds2

About [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine

[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine (PubChem CID 122185830) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
PubChem CID122185830
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
SMILESNCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN3/c19-12-7-5-11(6-8-12)17-18-15(9-13(10-20)21-17)14-3-1-2-4-16(14)22-18/h1-9,22H,10,20H2
InChIKeyQQXOJPNWJZOWRX-UHFFFAOYSA-N
XLogP3.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 130269845
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
benzyl N-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]carbamodithioate
CID 122185846
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
N',N'-bis[[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine
CID 141373733
methyl 1-[4-[(4-fluorophenyl)methylamino]phenyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 169185947
(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946442
[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
(E)-3-(3,5-difluorophenyl)-N-[[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide
CID 130247667
(E)-3-(3-hydroxyphenyl)-N-[[1-(4-hydroxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide
CID 137243925
prop-2-enyl N-[[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]carbamodithioate
CID 122185839

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine (CID 122185830) is [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine is NCc1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
The InChIKey is QQXOJPNWJZOWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3/c19-12-7-5-11(6-8-12)17-18-15(9-13(10-20)21-17)14-3-1-2-4-16(14)22-18/h1-9,22H,10,20H2.
What are the key properties of [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine?
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine has a molecular weight of 291.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine is sourced from PubChem (CID 122185830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).