N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine

C18H14ClN3 — CID 56676786

IUPACN-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
SMILESClc1ccccc1CNc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14ClN3/c19-15-7-3-1-5-12(15)11-21-18-17-14(9-10-20-18)13-6-2-4-8-16(13)22-17/h1-10,22H,11H2,(H,20,21)
InChIKeyOEXQJRPVXMTQQB-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.98
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine

N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine (PubChem CID 56676786) has the molecular formula C18H14ClN3 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
PubChem CID56676786
Molecular FormulaC18H14ClN3
Molecular Weight307.78 g/mol
Exact Mass307.09
IUPAC NameN-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
SMILESClc1ccccc1CNc1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C18H14ClN3/c19-15-7-3-1-5-12(15)11-21-18-17-14(9-10-20-18)13-6-2-4-8-16(13)22-17/h1-10,22H,11H2,(H,20,21)
InChIKeyOEXQJRPVXMTQQB-UHFFFAOYSA-N
XLogP4.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine (CID 56676786) is N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine is Clc1ccccc1CNc1nccc2c1[nH]c1ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
The InChIKey is OEXQJRPVXMTQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3/c19-15-7-3-1-5-12(15)11-21-18-17-14(9-10-20-18)13-6-2-4-8-16(13)22-17/h1-10,22H,11H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine?
N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine has a molecular weight of 307.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine is sourced from PubChem (CID 56676786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).