3-[1-(propan-2-ylamino)cyclohexyl]phenol

C15H23NO — CID 70506241

IUPAC3-[1-(propan-2-ylamino)cyclohexyl]phenol
SMILESCC(C)NC1(c2cccc(O)c2)CCCCC1
InChIInChI=1S/C15H23NO/c1-12(2)16-15(9-4-3-5-10-15)13-7-6-8-14(17)11-13/h6-8,11-12,16-17H,3-5,9-10H2,1-2H3
InChIKeyAYSDGCPIBNVRTO-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.55
Rot. Bonds3

About 3-[1-(propan-2-ylamino)cyclohexyl]phenol

3-[1-(propan-2-ylamino)cyclohexyl]phenol (PubChem CID 70506241) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-[1-(propan-2-ylamino)cyclohexyl]phenol.

Molecular Properties

Compound Name3-[1-(propan-2-ylamino)cyclohexyl]phenol
PubChem CID70506241
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-[1-(propan-2-ylamino)cyclohexyl]phenol
SMILESCC(C)NC1(c2cccc(O)c2)CCCCC1
InChIInChI=1S/C15H23NO/c1-12(2)16-15(9-4-3-5-10-15)13-7-6-8-14(17)11-13/h6-8,11-12,16-17H,3-5,9-10H2,1-2H3
InChIKeyAYSDGCPIBNVRTO-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 53299308
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987
3-[1-(propan-2-ylsulfanylmethyl)cyclobutyl]phenol
CID 115041780
3-(1-aminocyclobutyl)phenol
CID 82596466
N-butan-2-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 53299309
3-(1-aminocyclopropyl)phenol
CID 55296554
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047
3-[(3R)-1,3-dimethylazepan-3-yl]phenol
CID 143979161
3-[(3S)-1,3-dimethylazepan-3-yl]phenol
CID 143979159

Frequently Asked Questions

What is the IUPAC name of 3-[1-(propan-2-ylamino)cyclohexyl]phenol?
The IUPAC name of 3-[1-(propan-2-ylamino)cyclohexyl]phenol (CID 70506241) is 3-[1-(propan-2-ylamino)cyclohexyl]phenol.
What is the SMILES notation for 3-[1-(propan-2-ylamino)cyclohexyl]phenol?
The canonical SMILES for 3-[1-(propan-2-ylamino)cyclohexyl]phenol is CC(C)NC1(c2cccc(O)c2)CCCCC1.
What is the InChIKey of 3-[1-(propan-2-ylamino)cyclohexyl]phenol?
The InChIKey is AYSDGCPIBNVRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)16-15(9-4-3-5-10-15)13-7-6-8-14(17)11-13/h6-8,11-12,16-17H,3-5,9-10H2,1-2H3.
What are the key properties of 3-[1-(propan-2-ylamino)cyclohexyl]phenol?
3-[1-(propan-2-ylamino)cyclohexyl]phenol has a molecular weight of 233.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(propan-2-ylamino)cyclohexyl]phenol is sourced from PubChem (CID 70506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).