N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine

C18H25NO — CID 114747628

IUPACN-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
SMILESc1cc2c(c(C3CCCCC3CNC3CC3)c1)OCC2
InChIInChI=1S/C18H25NO/c1-2-6-16(14(4-1)12-19-15-8-9-15)17-7-3-5-13-10-11-20-18(13)17/h3,5,7,14-16,19H,1-2,4,6,8-12H2
InChIKeyJGLJKWGTOOFFBT-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.65
Rot. Bonds4

About N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 114747628) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID114747628
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
SMILESc1cc2c(c(C3CCCCC3CNC3CC3)c1)OCC2
InChIInChI=1S/C18H25NO/c1-2-6-16(14(4-1)12-19-15-8-9-15)17-7-3-5-13-10-11-20-18(13)17/h3,5,7,14-16,19H,1-2,4,6,8-12H2
InChIKeyJGLJKWGTOOFFBT-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine 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-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 114746748
N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026613
N-[[2-(2,3-dimethylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81034688
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
N-[[2-(2,4-difluorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026617
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
CID 114746981
N-[[2-(furan-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81024920
N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine (CID 114747628) is N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine is c1cc2c(c(C3CCCCC3CNC3CC3)c1)OCC2.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is JGLJKWGTOOFFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-6-16(14(4-1)12-19-15-8-9-15)17-7-3-5-13-10-11-20-18(13)17/h3,5,7,14-16,19H,1-2,4,6,8-12H2.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 271.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114747628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).