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

C18H17ClN2 — CID 105076264

IUPAC1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H17ClN2/c1-12-11-16(15-5-3-4-6-17(15)21-12)18(20-2)13-7-9-14(19)10-8-13/h3-11,18,20H,1-2H3
InChIKeyVZAJKVUSMPWWFK-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.51
Rot. Bonds3

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

1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine (PubChem CID 105076264) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
PubChem CID105076264
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H17ClN2/c1-12-11-16(15-5-3-4-6-17(15)21-12)18(20-2)13-7-9-14(19)10-8-13/h3-11,18,20H,1-2H3
InChIKeyVZAJKVUSMPWWFK-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105173392
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
(4-fluoro-3-methylphenyl)-(2-methylquinolin-4-yl)methanol
CID 79233806
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
1-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481456

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine (CID 105076264) is 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine is CNC(c1ccc(Cl)cc1)c1cc(C)nc2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
The InChIKey is VZAJKVUSMPWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-11-16(15-5-3-4-6-17(15)21-12)18(20-2)13-7-9-14(19)10-8-13/h3-11,18,20H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine has a molecular weight of 296.80 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 105076264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).