N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine

C13H16ClN — CID 106438223

IUPACN-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
SMILESC/C(=C/Cl)CNC1Cc2ccccc2C1
InChIInChI=1S/C13H16ClN/c1-10(8-14)9-15-13-6-11-4-2-3-5-12(11)7-13/h2-5,8,13,15H,6-7,9H2,1H3/b10-8-
InChIKeyROBXALIQALXQEJ-NTMALXAHSA-N
MW221.73 g/mol
LogP2.89
Rot. Bonds3

About N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine

N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 106438223) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID106438223
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC NameN-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine
SMILESC/C(=C/Cl)CNC1Cc2ccccc2C1
InChIInChI=1S/C13H16ClN/c1-10(8-14)9-15-13-6-11-4-2-3-5-12(11)7-13/h2-5,8,13,15H,6-7,9H2,1H3/b10-8-
InChIKeyROBXALIQALXQEJ-NTMALXAHSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(Z)-3-chloro-2-methylprop-2-enyl]-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

Related Compounds

Rasagiline
CID 3052776
Mefenorex
CID 21777
2-Aminoindane
CID 76310
(1S)-2,3-Dihydro-N-2-propyn-1-yl-1H-inden-1-amine
CID 5289310
Mefenorex Hydrochloride
CID 21776
N-Methylindan-2-amine
CID 15023225
2-Aminoindan hydrochloride
CID 122764
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
N-Methyl-1(R)-aminoindan
CID 5494442
2-Di-n-propylaminoindan
CID 130402
Indan-2-yl-(3-phenyl-propyl)-amine
CID 15061890
N-(2-phenylethyl)-2,3-dihydro-1H-inden-2-amine
CID 21648335

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine (CID 106438223) is N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine is C/C(=C/Cl)CNC1Cc2ccccc2C1.
What is the InChIKey of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ROBXALIQALXQEJ-NTMALXAHSA-N. The full InChI is InChI=1S/C13H16ClN/c1-10(8-14)9-15-13-6-11-4-2-3-5-12(11)7-13/h2-5,8,13,15H,6-7,9H2,1H3/b10-8-.
What are the key properties of N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine?
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 221.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-chloro-2-methylprop-2-enyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 106438223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).