4-(3-butan-2-yloxyanilino)cyclohexan-1-ol

C16H25NO2 — CID 106594573

IUPAC4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
SMILESCCC(C)Oc1cccc(NC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-3-12(2)19-16-6-4-5-14(11-16)17-13-7-9-15(18)10-8-13/h4-6,11-13,15,17-18H,3,7-10H2,1-2H3
InChIKeyYMMGCVNLFPVHAQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.58
Rot. Bonds5

About 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol

4-(3-butan-2-yloxyanilino)cyclohexan-1-ol (PubChem CID 106594573) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
PubChem CID106594573
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
SMILESCCC(C)Oc1cccc(NC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-3-12(2)19-16-6-4-5-14(11-16)17-13-7-9-15(18)10-8-13/h4-6,11-13,15,17-18H,3,7-10H2,1-2H3
InChIKeyYMMGCVNLFPVHAQ-UHFFFAOYSA-N
XLogP3.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-butan-2-yloxyphenyl)piperidin-4-amine
CID 62325027
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
CID 106594336
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
N-[3-[(4-hydroxycyclohexyl)amino]phenyl]propanamide
CID 106593504
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
CID 43698673
3-(3-butan-2-yloxyanilino)azepan-2-one
CID 61494916

Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol (CID 106594573) is 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol is CCC(C)Oc1cccc(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol?
The InChIKey is YMMGCVNLFPVHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-12(2)19-16-6-4-5-14(11-16)17-13-7-9-15(18)10-8-13/h4-6,11-13,15,17-18H,3,7-10H2,1-2H3.
What are the key properties of 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol?
4-(3-butan-2-yloxyanilino)cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butan-2-yloxyanilino)cyclohexan-1-ol is sourced from PubChem (CID 106594573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).