1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine

C16H21NO — CID 64776063

IUPAC1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H21NO/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-5,10-12,16H,6-9,17H2,1H3
InChIKeyMSRKNBZSYLOQSY-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.26
Rot. Bonds2

About 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine

1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine (PubChem CID 64776063) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
PubChem CID64776063
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H21NO/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-5,10-12,16H,6-9,17H2,1H3
InChIKeyMSRKNBZSYLOQSY-UHFFFAOYSA-N
XLogP4.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
CID 114729273
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65438710
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
2-(1-benzofuran-2-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63897326
(5-chloro-1-benzofuran-2-yl)-(4-propylcyclohexyl)methanamine
CID 114729243
1-benzofuran-2-yl(2,3-dihydro-1H-inden-1-yl)methanamine
CID 114729328
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651191
1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 43541045

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine (CID 64776063) is 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine is CC1CCC(C(N)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine?
The InChIKey is MSRKNBZSYLOQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-6-8-12(9-7-11)16(17)15-10-13-4-2-3-5-14(13)18-15/h2-5,10-12,16H,6-9,17H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine?
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 64776063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).