N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine

C17H18ClN — CID 43096931

IUPACN-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCC(Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN/c1-12(13-5-8-16(18)9-6-13)19-17-10-7-14-3-2-4-15(14)11-17/h5-12,19H,2-4H2,1H3
InChIKeyUVACNFWBEFHRJZ-UHFFFAOYSA-N
MW271.79 g/mol
LogP5.00
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine

N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 43096931) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID43096931
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
SMILESCC(Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN/c1-12(13-5-8-16(18)9-6-13)19-17-10-7-14-3-2-4-15(14)11-17/h5-12,19H,2-4H2,1H3
InChIKeyUVACNFWBEFHRJZ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.79
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-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

N-[1-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43104651
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117
2-chloro-4-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]benzonitrile
CID 43347921
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thiourea
CID 127072457
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine (CID 43096931) is N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine is CC(Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is UVACNFWBEFHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12(13-5-8-16(18)9-6-13)19-17-10-7-14-3-2-4-15(14)11-17/h5-12,19H,2-4H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine?
N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 271.79 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 43096931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).