2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine

C17H25NO — CID 104544128

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO/c1-2-10-18-16-6-4-3-5-15(16)13-7-8-17-14(12-13)9-11-19-17/h7-8,12,15-16,18H,2-6,9-11H2,1H3
InChIKeyGELZWCOEQNGLJY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.65
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine

2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine (PubChem CID 104544128) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
PubChem CID104544128
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO/c1-2-10-18-16-6-4-3-5-15(16)13-7-8-17-14(12-13)9-11-19-17/h7-8,12,15-16,18H,2-6,9-11H2,1H3
InChIKeyGELZWCOEQNGLJY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
CID 62801783
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propylcyclohexane-1-carboxylic acid
CID 104545126

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine (CID 104544128) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine?
The InChIKey is GELZWCOEQNGLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-10-18-16-6-4-3-5-15(16)13-7-8-17-14(12-13)9-11-19-17/h7-8,12,15-16,18H,2-6,9-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine has a molecular weight of 259.39 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 2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 104544128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).