[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine

C16H21NO — CID 117360718

IUPAC[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCc1cc2cc(C3(CN)CCCCC3)ccc2o1
InChIInChI=1S/C16H21NO/c1-12-9-13-10-14(5-6-15(13)18-12)16(11-17)7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11,17H2,1H3
InChIKeyRHHWGAXUJBMJBX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.90
Rot. Bonds2

About [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine

[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine (PubChem CID 117360718) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
PubChem CID117360718
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCc1cc2cc(C3(CN)CCCCC3)ccc2o1
InChIInChI=1S/C16H21NO/c1-12-9-13-10-14(5-6-15(13)18-12)16(11-17)7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11,17H2,1H3
InChIKeyRHHWGAXUJBMJBX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117434056
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclohexyl]methanamine
CID 117462140
[1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)cyclohexyl]methanamine
CID 117479065
[1-(2-tert-butyl-1,3-benzoxazol-5-yl)cyclopentyl]methanamine
CID 117434048
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(2-methyl-1,3-benzoxazol-6-yl)cyclopropyl]methanamine
CID 82491574
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
CID 117325791

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine (CID 117360718) is [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine is Cc1cc2cc(C3(CN)CCCCC3)ccc2o1.
What is the InChIKey of [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
The InChIKey is RHHWGAXUJBMJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-9-13-10-14(5-6-15(13)18-12)16(11-17)7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11,17H2,1H3.
What are the key properties of [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine?
[1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1-benzofuran-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).