[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol

C18H29NO2 — CID 62520257

IUPAC[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCCCOc1ccc(CNC2(CO)CCCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-2-3-13-21-17-9-7-16(8-10-17)14-19-18(15-20)11-5-4-6-12-18/h7-10,19-20H,2-6,11-15H2,1H3
InChIKeyXHPJFAVIJKYLRP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.65
Rot. Bonds8

About [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol

[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol (PubChem CID 62520257) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
PubChem CID62520257
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCCCCOc1ccc(CNC2(CO)CCCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-2-3-13-21-17-9-7-16(8-10-17)14-19-18(15-20)11-5-4-6-12-18/h7-10,19-20H,2-6,11-15H2,1H3
InChIKeyXHPJFAVIJKYLRP-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.65
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

[4-methyl-1-[(4-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62526048
1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
CID 63456305
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol
CID 111916814
[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
CID 115523953
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
2-(hydroxymethyl)-2-[(4-tetradecoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612675
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-(butylamino)cyclohexyl]methanol
CID 62520970
4-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzamide
CID 62522600
[1-[[4-(trifluoromethoxy)phenyl]methylamino]cyclopropyl]methanol
CID 115763085

Frequently Asked Questions

What is the IUPAC name of [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol (CID 62520257) is [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol is CCCCOc1ccc(CNC2(CO)CCCCC2)cc1.
What is the InChIKey of [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is XHPJFAVIJKYLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-3-13-21-17-9-7-16(8-10-17)14-19-18(15-20)11-5-4-6-12-18/h7-10,19-20H,2-6,11-15H2,1H3.
What are the key properties of [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol?
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62520257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).