N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H20ClNO — CID 115466102

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(Cc1ccccc1Cl)NC1CCCc2occc21
InChIInChI=1S/C17H20ClNO/c1-12(11-13-5-2-3-6-15(13)18)19-16-7-4-8-17-14(16)9-10-20-17/h2-3,5-6,9-10,12,16,19H,4,7-8,11H2,1H3
InChIKeyNDIHERFVPJVVKL-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.53
Rot. Bonds4

About N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 115466102) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID115466102
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(Cc1ccccc1Cl)NC1CCCc2occc21
InChIInChI=1S/C17H20ClNO/c1-12(11-13-5-2-3-6-15(13)18)19-16-7-4-8-17-14(16)9-10-20-17/h2-3,5-6,9-10,12,16,19H,4,7-8,11H2,1H3
InChIKeyNDIHERFVPJVVKL-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-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-phenylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 78923408
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466625
N-[1-(furan-2-yl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 63100256
N-(1-ethoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81297542
N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43094167
N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208303
N-(3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104827925
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
1-N,1-N,3-trimethyl-2-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butane-1,2-diamine
CID 113315175
N-[1-(1-methylcyclopropyl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43173501
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
N-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 82712185

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 115466102) is N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(Cc1ccccc1Cl)NC1CCCc2occc21.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is NDIHERFVPJVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(11-13-5-2-3-6-15(13)18)19-16-7-4-8-17-14(16)9-10-20-17/h2-3,5-6,9-10,12,16,19H,4,7-8,11H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 289.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 115466102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).