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

C18H20ClN — CID 106868280

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
SMILESCc1ccc(CC(N)C2Cc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C18H20ClN/c1-12-6-7-15(17(19)8-12)11-18(20)16-9-13-4-2-3-5-14(13)10-16/h2-8,16,18H,9-11,20H2,1H3
InChIKeyBPLQWUKFZAJALY-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.93
Rot. Bonds3

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

2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine (PubChem CID 106868280) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
PubChem CID106868280
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
SMILESCc1ccc(CC(N)C2Cc3ccccc3C2)c(Cl)c1
InChIInChI=1S/C18H20ClN/c1-12-6-7-15(17(19)8-12)11-18(20)16-9-13-4-2-3-5-14(13)10-16/h2-8,16,18H,9-11,20H2,1H3
InChIKeyBPLQWUKFZAJALY-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-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-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65403993
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
2-(2,6-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 65410709
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 106867239
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine (CID 106868280) is 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine is Cc1ccc(CC(N)C2Cc3ccccc3C2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
The InChIKey is BPLQWUKFZAJALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-6-7-15(17(19)8-12)11-18(20)16-9-13-4-2-3-5-14(13)10-16/h2-8,16,18H,9-11,20H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine is sourced from PubChem (CID 106868280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).