N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine

C17H23NO — CID 80701390

IUPACN-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1coc2ccccc12
InChIInChI=1S/C17H23NO/c1-13-6-2-3-7-14(13)10-18-11-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3
InChIKeyKDHNMOSRYOFRHB-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.35
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine

N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine (PubChem CID 80701390) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
PubChem CID80701390
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
SMILESCC1CCCCC1CNCc1coc2ccccc12
InChIInChI=1S/C17H23NO/c1-13-6-2-3-7-14(13)10-18-11-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3
InChIKeyKDHNMOSRYOFRHB-UHFFFAOYSA-N
XLogP4.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63454846
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 63455912
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
CID 80702882
1-(2-methylcyclopentyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 107416963
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
4-[[(2-methylcyclohexyl)methylamino]methyl]benzene-1,3-diol
CID 55013705
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936
2-[2-[[(2-methylcyclopentyl)methylamino]methyl]phenyl]acetic acid
CID 107418280
N-[2-[[(2-methylcyclohexyl)methylamino]methyl]phenyl]acetamide
CID 66419232

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine (CID 80701390) is N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine is CC1CCCCC1CNCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
The InChIKey is KDHNMOSRYOFRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13-6-2-3-7-14(13)10-18-11-15-12-19-17-9-5-4-8-16(15)17/h4-5,8-9,12-14,18H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine?
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine is sourced from PubChem (CID 80701390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).