1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol

C17H27NO — CID 117408766

IUPAC1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2)10-8-14(9-11-17)13-4-6-15(7-5-13)16(19)12-18-3/h4-7,14,16,18-19H,8-12H2,1-3H3
InChIKeySYRBVBZOJJEOKZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol

1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117408766) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
PubChem CID117408766
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2)10-8-14(9-11-17)13-4-6-15(7-5-13)16(19)12-18-3/h4-7,14,16,18-19H,8-12H2,1-3H3
InChIKeySYRBVBZOJJEOKZ-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,4-dimethylcyclohexyl)phenyl]ethanamine
CID 115005957
2-amino-2-[4-(4,4-dimethylcyclohexyl)phenyl]acetic acid
CID 117408120
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol
CID 117108149
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
3-cyclopropyl-3-[4-(4,4-dimethylcyclohexyl)phenyl]propanoic acid
CID 117484279
2-(methylamino)-1-[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]ethanol
CID 83971897
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol (CID 117408766) is 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(C2CCC(C)(C)CC2)cc1.
What is the InChIKey of 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is SYRBVBZOJJEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2)10-8-14(9-11-17)13-4-6-15(7-5-13)16(19)12-18-3/h4-7,14,16,18-19H,8-12H2,1-3H3.
What are the key properties of 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol?
1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117408766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).