(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

C18H20ClN — CID 106892808

IUPAC(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESCc1cc(Cl)c(C(N)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C18H20ClN/c1-11-7-16(17(19)8-12(11)2)18(20)15-9-13-5-3-4-6-14(13)10-15/h3-8,15,18H,9-10,20H2,1-2H3
InChIKeyGBUHGLJFWDAWOI-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.37
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (PubChem CID 106892808) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
PubChem CID106892808
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESCc1cc(Cl)c(C(N)C2Cc3ccccc3C2)cc1C
InChIInChI=1S/C18H20ClN/c1-11-7-16(17(19)8-12(11)2)18(20)15-9-13-5-3-4-6-14(13)10-15/h3-8,15,18H,9-10,20H2,1-2H3
InChIKeyGBUHGLJFWDAWOI-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine 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-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 79699671
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892796
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
(2-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126524
(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 106892811
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 107560051

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (CID 106892808) is (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is Cc1cc(Cl)c(C(N)C2Cc3ccccc3C2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The InChIKey is GBUHGLJFWDAWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-11-7-16(17(19)8-12(11)2)18(20)15-9-13-5-3-4-6-14(13)10-15/h3-8,15,18H,9-10,20H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is sourced from PubChem (CID 106892808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).