3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline

C17H19ClN2 — CID 63405916

IUPAC3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCc1ccc2c(c1)CCCN2Cc1ccc(N)cc1Cl
InChIInChI=1S/C17H19ClN2/c1-12-4-7-17-13(9-12)3-2-8-20(17)11-14-5-6-15(19)10-16(14)18/h4-7,9-10H,2-3,8,11,19H2,1H3
InChIKeyJYXGSSAWEUNXBR-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.18
Rot. Bonds2

About 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline

3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (PubChem CID 63405916) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
PubChem CID63405916
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
SMILESCc1ccc2c(c1)CCCN2Cc1ccc(N)cc1Cl
InChIInChI=1S/C17H19ClN2/c1-12-4-7-17-13(9-12)3-2-8-20(17)11-14-5-6-15(19)10-16(14)18/h4-7,9-10H,2-3,8,11,19H2,1H3
InChIKeyJYXGSSAWEUNXBR-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
CID 106864189
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindole-5-carboxylic acid
CID 106865343
1-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 22194542
1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 106864235
3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 115980030
6-amino-1-[(2-chloro-4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 106863380
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]furan-2-carbohydrazide
CID 63570279
N-methyl-3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-2-amine
CID 62471854
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
3-chloro-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 28721933

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline (CID 63405916) is 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is Cc1ccc2c(c1)CCCN2Cc1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
The InChIKey is JYXGSSAWEUNXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-12-4-7-17-13(9-12)3-2-8-20(17)11-14-5-6-15(19)10-16(14)18/h4-7,9-10H,2-3,8,11,19H2,1H3.
What are the key properties of 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline?
3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline has a molecular weight of 286.81 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline is sourced from PubChem (CID 63405916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).