N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C18H21N — CID 43768440

IUPACN-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(C(C)NC2CCc3ccccc32)c1
InChIInChI=1S/C18H21N/c1-13-6-5-8-16(12-13)14(2)19-18-11-10-15-7-3-4-9-17(15)18/h3-9,12,14,18-19H,10-11H2,1-2H3
InChIKeyGHJAAHMBVGTEKV-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.33
Rot. Bonds3

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

N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43768440) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43768440
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(C(C)NC2CCc3ccccc32)c1
InChIInChI=1S/C18H21N/c1-13-6-5-8-16(12-13)14(2)19-18-11-10-15-7-3-4-9-17(15)18/h3-9,12,14,18-19H,10-11H2,1-2H3
InChIKeyGHJAAHMBVGTEKV-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-methylphenyl)ethyl]-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

N-[(1S)-1-(3-methylphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149520
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034
N-[(1R)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81405488
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
N-[1-(4-methylphenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63449232
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43670189
N-[1-(3,4-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956222
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43111218

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 43768440) is N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is Cc1cccc(C(C)NC2CCc3ccccc32)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GHJAAHMBVGTEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-6-5-8-16(12-13)14(2)19-18-11-10-15-7-3-4-9-17(15)18/h3-9,12,14,18-19H,10-11H2,1-2H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43768440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).