2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

C18H21ClN2 — CID 106817234

IUPAC2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-13-8-9-15(11-16(13)19)18(12-20)21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11,18H,4,6,10,12,20H2,1H3
InChIKeyIYSYGULPOCETGG-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.10
Rot. Bonds3

About 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine

2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 106817234) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID106817234
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-13-8-9-15(11-16(13)19)18(12-20)21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11,18H,4,6,10,12,20H2,1H3
InChIKeyIYSYGULPOCETGG-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine 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

2-(3-bromophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43180447
2-(2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanamine
CID 16793061
2-(3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 16792564
2-(5-chlorothiophen-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 43146883
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)ethanamine
CID 43327440
2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanol
CID 155093221
1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline
CID 82214339
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817511
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
4-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 62425766

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 106817234) is 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is Cc1ccc(C(CN)N2CCCc3ccccc32)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is IYSYGULPOCETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-13-8-9-15(11-16(13)19)18(12-20)21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11,18H,4,6,10,12,20H2,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine?
2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 300.83 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 106817234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).