4-anilino-2,5-dimethylcyclohexan-1-ol

C14H21NO — CID 70874957

IUPAC4-anilino-2,5-dimethylcyclohexan-1-ol
SMILESCC1CC(Nc2ccccc2)C(C)CC1O
InChIInChI=1S/C14H21NO/c1-10-9-14(16)11(2)8-13(10)15-12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3
InChIKeyUQMZNUTXXPVFQG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds2

About 4-anilino-2,5-dimethylcyclohexan-1-ol

4-anilino-2,5-dimethylcyclohexan-1-ol (PubChem CID 70874957) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-anilino-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-anilino-2,5-dimethylcyclohexan-1-ol
PubChem CID70874957
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-anilino-2,5-dimethylcyclohexan-1-ol
SMILESCC1CC(Nc2ccccc2)C(C)CC1O
InChIInChI=1S/C14H21NO/c1-10-9-14(16)11(2)8-13(10)15-12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3
InChIKeyUQMZNUTXXPVFQG-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
CID 70689436
2-(3-Toluidino)cyclohexanol
CID 12397121
2-[(4-Methylphenyl)amino]cyclohexan-1-ol
CID 12397124
trans-2-p-Tolylaminocyclohexanol
CID 12397125
3-[(4-Hydroxycyclohexyl)amino]benzonitrile
CID 84126354
4-[[5-Fluoro-2-[methyl(pentyl)amino]phenyl]methylamino]cyclohexan-1-ol
CID 75534212
Urea, N-(4-hydroxy-2-methylcyclohexyl)-N'-phenyl-
CID 186098
4-((2-Aminobenzyl)amino)cyclohexan-1-ol
CID 3022549
4-[4-Amino-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 28902491
4-(4-Fluoro-2-methylanilino)cyclohexan-1-ol
CID 57983693
4-[3-[(E)-but-1-enyl]-2,4-difluoroanilino]-4-phenylbutan-1-ol
CID 144192567
[4-[[2-(Trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 172559648

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 4-anilino-2,5-dimethylcyclohexan-1-ol (CID 70874957) is 4-anilino-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 4-anilino-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 4-anilino-2,5-dimethylcyclohexan-1-ol is CC1CC(Nc2ccccc2)C(C)CC1O.
What is the InChIKey of 4-anilino-2,5-dimethylcyclohexan-1-ol?
The InChIKey is UQMZNUTXXPVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-9-14(16)11(2)8-13(10)15-12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3.
What are the key properties of 4-anilino-2,5-dimethylcyclohexan-1-ol?
4-anilino-2,5-dimethylcyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 70874957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).