(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine

C17H17Cl2N — CID 70085346

IUPAC(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccccc2C1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N/c1-20-17-10-12-4-2-3-5-13(12)14(17)8-11-6-7-15(18)16(19)9-11/h2-7,9,14,17,20H,8,10H2,1H3/t14?,17-/m0/s1
InChIKeyDEVQCPMLFYYLAY-JRZJBTRGSA-N
MW306.24 g/mol
LogP4.46
Rot. Bonds3

About (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine

(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 70085346) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID70085346
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN[C@H]1Cc2ccccc2C1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N/c1-20-17-10-12-4-2-3-5-13(12)14(17)8-11-6-7-15(18)16(19)9-11/h2-7,9,14,17,20H,8,10H2,1H3/t14?,17-/m0/s1
InChIKeyDEVQCPMLFYYLAY-JRZJBTRGSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine (CID 70085346) is (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine is CN[C@H]1Cc2ccccc2C1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is DEVQCPMLFYYLAY-JRZJBTRGSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-20-17-10-12-4-2-3-5-13(12)14(17)8-11-6-7-15(18)16(19)9-11/h2-7,9,14,17,20H,8,10H2,1H3/t14?,17-/m0/s1.
What are the key properties of (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine?
(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 306.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 70085346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).