3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol

C17H27NO — CID 43751281

IUPAC3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
SMILESCC(C)c1ccc(C(C)NC2CCCC(O)C2)cc1
InChIInChI=1S/C17H27NO/c1-12(2)14-7-9-15(10-8-14)13(3)18-16-5-4-6-17(19)11-16/h7-10,12-13,16-19H,4-6,11H2,1-3H3
InChIKeyIGFJJQNKRBWRFT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds4

About 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol

3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol (PubChem CID 43751281) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
PubChem CID43751281
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
SMILESCC(C)c1ccc(C(C)NC2CCCC(O)C2)cc1
InChIInChI=1S/C17H27NO/c1-12(2)14-7-9-15(10-8-14)13(3)18-16-5-4-6-17(19)11-16/h7-10,12-13,16-19H,4-6,11H2,1-3H3
InChIKeyIGFJJQNKRBWRFT-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-Biphenylylmethyl)amino]-1-propanol hydrochloride
CID 2967742
(+)-cis-2-Benzylaminocyclohexanemethanol
CID 853687
(-)-cis-2-Benzylaminocyclohexanemethanol
CID 853690
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
4-[(2R,5R)-1-benzhydryl-5-methylpiperazin-2-yl]butan-1-ol
CID 71625218
3,4,5-Trimethyl-2,6-diphenylpiperidin-4-ol
CID 3142092
2-Phenylpiperidin-4-ol
CID 23042273
Drobuline
CID 60890
2-[(4-Biphenylylmethyl)amino]-1-butanol hydrochloride
CID 2970010
1-[([1,1'-Biphenyl]-4-ylmethyl)amino]-2-propanol
CID 2980424
4-(Benzylamino)cyclohexan-1-ol
CID 11117199
4-Piperidinol, 2,3,6-triphenyl-
CID 3079038

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol (CID 43751281) is 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol is CC(C)c1ccc(C(C)NC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is IGFJJQNKRBWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)14-7-9-15(10-8-14)13(3)18-16-5-4-6-17(19)11-16/h7-10,12-13,16-19H,4-6,11H2,1-3H3.
What are the key properties of 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).