1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol

C16H25NO2 — CID 60897688

IUPAC1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CCNCC2(O)CCCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-15-7-5-14(6-8-15)9-12-17-13-16(18)10-3-2-4-11-16/h5-8,17-18H,2-4,9-13H2,1H3
InChIKeyWDBDKWJSSFHEFA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds6

About 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol

1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 60897688) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID60897688
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CCNCC2(O)CCCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-19-15-7-5-14(6-8-15)9-12-17-13-16(18)10-3-2-4-11-16/h5-8,17-18H,2-4,9-13H2,1H3
InChIKeyWDBDKWJSSFHEFA-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115245897
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 28702701
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 60897688) is 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is COc1ccc(CCNCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is WDBDKWJSSFHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-15-7-5-14(6-8-15)9-12-17-13-16(18)10-3-2-4-11-16/h5-8,17-18H,2-4,9-13H2,1H3.
What are the key properties of 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 60897688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).