2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine

C17H24N2O — CID 80703550

IUPAC2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1coc2ccccc12)C1CCCCC1CN
InChIInChI=1S/C17H24N2O/c1-19(16-8-4-2-6-13(16)10-18)11-14-12-20-17-9-5-3-7-15(14)17/h3,5,7,9,12-13,16H,2,4,6,8,10-11,18H2,1H3
InChIKeyMZVIOYVEYFSEFR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.38
Rot. Bonds4

About 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine

2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 80703550) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID80703550
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN(Cc1coc2ccccc12)C1CCCCC1CN
InChIInChI=1S/C17H24N2O/c1-19(16-8-4-2-6-13(16)10-18)11-14-12-20-17-9-5-3-7-15(14)17/h3,5,7,9,12-13,16H,2,4,6,8,10-11,18H2,1H3
InChIKeyMZVIOYVEYFSEFR-UHFFFAOYSA-N
XLogP3.38
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
CID 80703288
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 134559936
2-(aminomethyl)-N-[(3-bromofuran-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 106885981
methyl 2-[2-[[[2-(aminomethyl)cyclopentyl]-methylamino]methyl]phenyl]acetate
CID 115463073
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine (CID 80703550) is 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine is CN(Cc1coc2ccccc12)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is MZVIOYVEYFSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(16-8-4-2-6-13(16)10-18)11-14-12-20-17-9-5-3-7-15(14)17/h3,5,7,9,12-13,16H,2,4,6,8,10-11,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine?
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 272.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 80703550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).