N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine

C15H19NO — CID 115592636

IUPACN-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
SMILESCC(CNCc1cc2ccccc2o1)C1CC1
InChIInChI=1S/C15H19NO/c1-11(12-6-7-12)9-16-10-14-8-13-4-2-3-5-15(13)17-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3
InChIKeyJVFPSGPPDBQDPP-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.57
Rot. Bonds5

About N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine

N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine (PubChem CID 115592636) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
PubChem CID115592636
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
SMILESCC(CNCc1cc2ccccc2o1)C1CC1
InChIInChI=1S/C15H19NO/c1-11(12-6-7-12)9-16-10-14-8-13-4-2-3-5-15(13)17-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3
InChIKeyJVFPSGPPDBQDPP-UHFFFAOYSA-N
XLogP3.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-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-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
CID 63448343
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
4-[(1-benzofuran-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79530100
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178945
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
N-(1-benzofuran-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 43080449

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine (CID 115592636) is N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine is CC(CNCc1cc2ccccc2o1)C1CC1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine?
The InChIKey is JVFPSGPPDBQDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(12-6-7-12)9-16-10-14-8-13-4-2-3-5-15(13)17-14/h2-5,8,11-12,16H,6-7,9-10H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine?
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 115592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).