2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine

C18H17ClN2 — CID 106867176

IUPAC2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
SMILESCc1ccc(CC(N)c2ccc3ncccc3c2)c(Cl)c1
InChIInChI=1S/C18H17ClN2/c1-12-4-5-13(16(19)9-12)11-17(20)14-6-7-18-15(10-14)3-2-8-21-18/h2-10,17H,11,20H2,1H3
InChIKeyOIXQFEPFUOUWSA-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.44
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine

2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine (PubChem CID 106867176) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
PubChem CID106867176
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
SMILESCc1ccc(CC(N)c2ccc3ncccc3c2)c(Cl)c1
InChIInChI=1S/C18H17ClN2/c1-12-4-5-13(16(19)9-12)11-17(20)14-6-7-18-15(10-14)3-2-8-21-18/h2-10,17H,11,20H2,1H3
InChIKeyOIXQFEPFUOUWSA-UHFFFAOYSA-N
XLogP4.44
TPSA38.91 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-1-quinolin-6-ylethanamine
CID 63097558
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
1-quinolin-6-ylbutan-1-amine
CID 63095616
6-methylquinoline
CID 7059
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine (CID 106867176) is 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine is Cc1ccc(CC(N)c2ccc3ncccc3c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine?
The InChIKey is OIXQFEPFUOUWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-4-5-13(16(19)9-12)11-17(20)14-6-7-18-15(10-14)3-2-8-21-18/h2-10,17H,11,20H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine?
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine is sourced from PubChem (CID 106867176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).