1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

C18H17ClN2 — CID 78978652

IUPAC1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-13-9-15(17-7-2-3-8-18(17)21-13)12-20-11-14-5-4-6-16(19)10-14/h2-10,20H,11-12H2,1H3
InChIKeyQBPHWYSWFFBVNA-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (PubChem CID 78978652) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
PubChem CID78978652
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-13-9-15(17-7-2-3-8-18(17)21-13)12-20-11-14-5-4-6-16(19)10-14/h2-10,20H,11-12H2,1H3
InChIKeyQBPHWYSWFFBVNA-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
4-chloro-2-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031823
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[(6-chloro-2-methylquinolin-4-yl)methyl]ethanamine
CID 82449107
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78921551
[3-[(2-methylquinolin-4-yl)methylamino]phenyl]methanol
CID 79233520
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (CID 78978652) is 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is Cc1cc(CNCc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The InChIKey is QBPHWYSWFFBVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-13-9-15(17-7-2-3-8-18(17)21-13)12-20-11-14-5-4-6-16(19)10-14/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine has a molecular weight of 296.80 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is sourced from PubChem (CID 78978652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).