[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine

C16H23NO2 — CID 117408247

IUPAC[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCOc1cc2c(cc1C1(CN)CCCCC1)COC2
InChIInChI=1S/C16H23NO2/c1-18-15-8-13-10-19-9-12(13)7-14(15)16(11-17)5-3-2-4-6-16/h7-8H,2-6,9-11,17H2,1H3
InChIKeyMXHKXTDHJXYOLB-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.89
Rot. Bonds3

About [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine

[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine (PubChem CID 117408247) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
PubChem CID117408247
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
SMILESCOc1cc2c(cc1C1(CN)CCCCC1)COC2
InChIInChI=1S/C16H23NO2/c1-18-15-8-13-10-19-9-12(13)7-14(15)16(11-17)5-3-2-4-6-16/h7-8H,2-6,9-11,17H2,1H3
InChIKeyMXHKXTDHJXYOLB-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)cyclopentyl]methanamine
CID 82622946
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
6-[1-(aminomethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-ol
CID 117338492
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine (CID 117408247) is [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine is COc1cc2c(cc1C1(CN)CCCCC1)COC2.
What is the InChIKey of [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine?
The InChIKey is MXHKXTDHJXYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-8-13-10-19-9-12(13)7-14(15)16(11-17)5-3-2-4-6-16/h7-8H,2-6,9-11,17H2,1H3.
What are the key properties of [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine?
[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117408247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).