2-(4-tert-butylanilino)cyclohexan-1-ol

C16H25NO — CID 60884412

IUPAC2-(4-tert-butylanilino)cyclohexan-1-ol
SMILESCC(C)(C)c1ccc(NC2CCCCC2O)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)18/h8-11,14-15,17-18H,4-7H2,1-3H3
InChIKeyJEJZJQIFUSOGPG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.70
Rot. Bonds2

About 2-(4-tert-butylanilino)cyclohexan-1-ol

2-(4-tert-butylanilino)cyclohexan-1-ol (PubChem CID 60884412) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-tert-butylanilino)cyclohexan-1-ol
PubChem CID60884412
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-tert-butylanilino)cyclohexan-1-ol
SMILESCC(C)(C)c1ccc(NC2CCCCC2O)cc1
InChIInChI=1S/C16H25NO/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)18/h8-11,14-15,17-18H,4-7H2,1-3H3
InChIKeyJEJZJQIFUSOGPG-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
N-(4-tert-butylphenyl)cyclooctanamine
CID 28526641
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
trans-(1R,2R)-2-(4-propan-2-ylanilino)cyclopentan-1-ol
CID 102732975
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)cyclohexan-1-ol?
The IUPAC name of 2-(4-tert-butylanilino)cyclohexan-1-ol (CID 60884412) is 2-(4-tert-butylanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-tert-butylanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(4-tert-butylanilino)cyclohexan-1-ol is CC(C)(C)c1ccc(NC2CCCCC2O)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)cyclohexan-1-ol?
The InChIKey is JEJZJQIFUSOGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)12-8-10-13(11-9-12)17-14-6-4-5-7-15(14)18/h8-11,14-15,17-18H,4-7H2,1-3H3.
What are the key properties of 2-(4-tert-butylanilino)cyclohexan-1-ol?
2-(4-tert-butylanilino)cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)cyclohexan-1-ol is sourced from PubChem (CID 60884412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).