N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine

C17H15ClN2 — CID 28774820

IUPACN-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
SMILESClc1ccccc1CNCc1ccc2ccccc2n1
InChIInChI=1S/C17H15ClN2/c18-16-7-3-1-6-14(16)11-19-12-15-10-9-13-5-2-4-8-17(13)20-15/h1-10,19H,11-12H2
InChIKeyADIFMBHHGSIVNF-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.18
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine

N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine (PubChem CID 28774820) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
PubChem CID28774820
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
SMILESClc1ccccc1CNCc1ccc2ccccc2n1
InChIInChI=1S/C17H15ClN2/c18-16-7-3-1-6-14(16)11-19-12-15-10-9-13-5-2-4-8-17(13)20-15/h1-10,19H,11-12H2
InChIKeyADIFMBHHGSIVNF-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 103884429
N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
N-[(2-methylpyrazol-3-yl)methyl]-1-quinolin-2-ylmethanamine
CID 63001320

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine (CID 28774820) is N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine is Clc1ccccc1CNCc1ccc2ccccc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine?
The InChIKey is ADIFMBHHGSIVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-16-7-3-1-6-14(16)11-19-12-15-10-9-13-5-2-4-8-17(13)20-15/h1-10,19H,11-12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine?
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine has a molecular weight of 282.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 28774820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).