2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine

C17H25NO — CID 115862636

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO/c1-2-12-5-3-4-6-15(12)17(18)14-7-8-16-13(11-14)9-10-19-16/h7-8,11-12,15,17H,2-6,9-10,18H2,1H3
InChIKeyCNSMAOFZORKGCQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.84
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine

2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine (PubChem CID 115862636) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
PubChem CID115862636
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO/c1-2-12-5-3-4-6-15(12)17(18)14-7-8-16-13(11-14)9-10-19-16/h7-8,11-12,15,17H,2-6,9-10,18H2,1H3
InChIKeyCNSMAOFZORKGCQ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine 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

cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
CID 61027220
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 43804474
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine (CID 115862636) is 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine?
The InChIKey is CNSMAOFZORKGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-12-5-3-4-6-15(12)17(18)14-7-8-16-13(11-14)9-10-19-16/h7-8,11-12,15,17H,2-6,9-10,18H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine?
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 115862636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).