N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine

C17H21NO — CID 56574292

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine
SMILESCC(c1cc2ccccc2o1)N(C)C1C=CCCC1
InChIInChI=1S/C17H21NO/c1-13(18(2)15-9-4-3-5-10-15)17-12-14-8-6-7-11-16(14)19-17/h4,6-9,11-13,15H,3,5,10H2,1-2H3
InChIKeyZZHOPDMRUMKYKO-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.53
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine (PubChem CID 56574292) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine
PubChem CID56574292
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine
SMILESCC(c1cc2ccccc2o1)N(C)C1C=CCCC1
InChIInChI=1S/C17H21NO/c1-13(18(2)15-9-4-3-5-10-15)17-12-14-8-6-7-11-16(14)19-17/h4,6-9,11-13,15H,3,5,10H2,1-2H3
InChIKeyZZHOPDMRUMKYKO-UHFFFAOYSA-N
XLogP4.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651191
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985064
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 43541045
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 111113418
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
CID 51933578
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine (CID 56574292) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine is CC(c1cc2ccccc2o1)N(C)C1C=CCCC1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine?
The InChIKey is ZZHOPDMRUMKYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(18(2)15-9-4-3-5-10-15)17-12-14-8-6-7-11-16(14)19-17/h4,6-9,11-13,15H,3,5,10H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 56574292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).