1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine

C18H17ClN2 — CID 116645117

IUPAC1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C18H17ClN2/c1-12(20-2)15-9-7-14(11-16(15)19)18-10-8-13-5-3-4-6-17(13)21-18/h3-12,20H,1-2H3
InChIKeyPMQOSJLVDNCPEL-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.84
Rot. Bonds3

About 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine

1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine (PubChem CID 116645117) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
PubChem CID116645117
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C18H17ClN2/c1-12(20-2)15-9-7-14(11-16(15)19)18-10-8-13-5-3-4-6-17(13)21-18/h3-12,20H,1-2H3
InChIKeyPMQOSJLVDNCPEL-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-quinolin-2-ylbenzaldehyde
CID 116645016
1-(2-chloro-4-quinolin-2-ylphenyl)ethanone
CID 116645015
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 114879159
1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
CID 82782798
N-methyl-1-(3-quinolin-2-ylphenyl)propan-1-amine
CID 116645115
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine (CID 116645117) is 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine is CNC(C)c1ccc(-c2ccc3ccccc3n2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine?
The InChIKey is PMQOSJLVDNCPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12(20-2)15-9-7-14(11-16(15)19)18-10-8-13-5-3-4-6-17(13)21-18/h3-12,20H,1-2H3.
What are the key properties of 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine?
1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 116645117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).