N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine

C13H16ClN — CID 115891128

IUPACN-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine
SMILESC=C(Cl)CNC1CCc2cc(C)ccc21
InChIInChI=1S/C13H16ClN/c1-9-3-5-12-11(7-9)4-6-13(12)15-8-10(2)14/h3,5,7,13,15H,2,4,6,8H2,1H3
InChIKeyWNGBUOQYUFKKMN-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.32
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine

N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115891128) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID115891128
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC NameN-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine
SMILESC=C(Cl)CNC1CCc2cc(C)ccc21
InChIInChI=1S/C13H16ClN/c1-9-3-5-12-11(7-9)4-6-13(12)15-8-10(2)14/h3,5,7,13,15H,2,4,6,8H2,1H3
InChIKeyWNGBUOQYUFKKMN-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-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

1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(3-methylphenyl)acetamide
CID 43411225
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315
5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 167619937
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine (CID 115891128) is N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine is C=C(Cl)CNC1CCc2cc(C)ccc21.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WNGBUOQYUFKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-9-3-5-12-11(7-9)4-6-13(12)15-8-10(2)14/h3,5,7,13,15H,2,4,6,8H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine?
N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 221.73 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115891128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).