[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine

C16H23NO — CID 117366230

IUPAC[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCc1cc(C2(CN)CCCCC2)cc2c1OCC2
InChIInChI=1S/C16H23NO/c1-12-9-14(10-13-5-8-18-15(12)13)16(11-17)6-3-2-4-7-16/h9-10H,2-8,11,17H2,1H3
InChIKeyJYWPLBYTNSULQV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds2

About [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine

[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine (PubChem CID 117366230) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
PubChem CID117366230
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCc1cc(C2(CN)CCCCC2)cc2c1OCC2
InChIInChI=1S/C16H23NO/c1-12-9-14(10-13-5-8-18-15(12)13)16(11-17)6-3-2-4-7-16/h9-10H,2-8,11,17H2,1H3
InChIKeyJYWPLBYTNSULQV-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
[1-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methanamine
CID 117338394
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine
CID 117495214
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
[1-(3-fluoro-5-methylphenyl)cyclopentyl]methanamine
CID 84779814
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]cyclopentyl]methanamine
CID 117351226
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194

Frequently Asked Questions

What is the IUPAC name of [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine (CID 117366230) is [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine is Cc1cc(C2(CN)CCCCC2)cc2c1OCC2.
What is the InChIKey of [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
The InChIKey is JYWPLBYTNSULQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-9-14(10-13-5-8-18-15(12)13)16(11-17)6-3-2-4-7-16/h9-10H,2-8,11,17H2,1H3.
What are the key properties of [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine?
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117366230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).