1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol

C18H29NO — CID 19816197

IUPAC1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3,5-6,10-11,17,20H,4,7-9,12-15H2,1-2H3
InChIKeyYIEKMMMKCKDMBT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.80
Rot. Bonds6

About 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol

1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol (PubChem CID 19816197) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
PubChem CID19816197
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
SMILESCN(C)CCCC(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3,5-6,10-11,17,20H,4,7-9,12-15H2,1-2H3
InChIKeyYIEKMMMKCKDMBT-UHFFFAOYSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
CID 19816182
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
1-cyclohexyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 129318825
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
CID 139079570
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclohexyl-3-(dimethylamino)-1-(4-pentoxyphenyl)propan-1-ol
CID 3803721
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
3-(3-aminopropylamino)-1-cyclohexyl-1-phenylpropan-1-ol
CID 22155909
6-(dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol
CID 11834795

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol?
The IUPAC name of 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol (CID 19816197) is 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol is CN(C)CCCC(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol?
The InChIKey is YIEKMMMKCKDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-19(2)15-9-14-18(20,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3,5-6,10-11,17,20H,4,7-9,12-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol?
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 19816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).