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

C17H27NO — CID 115149551

IUPAC4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
SMILESCC(C)c1ccc(CCNC2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-5-3-14(4-6-15)11-12-18-16-7-9-17(19)10-8-16/h3-6,13,16-19H,7-12H2,1-2H3
InChIKeyYQTVAEJXETXFLC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.25
Rot. Bonds5

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

4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol (PubChem CID 115149551) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
PubChem CID115149551
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
SMILESCC(C)c1ccc(CCNC2CCC(O)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-5-3-14(4-6-15)11-12-18-16-7-9-17(19)10-8-16/h3-6,13,16-19H,7-12H2,1-2H3
InChIKeyYQTVAEJXETXFLC-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
4-[2-[(4-ethylcyclohexyl)amino]ethyl]phenol
CID 61238876
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-[4-[4-[2-(propan-2-ylamino)ethyl]phenyl]butyl]cyclopropanamine
CID 105347923

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol (CID 115149551) is 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol is CC(C)c1ccc(CCNC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is YQTVAEJXETXFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-5-3-14(4-6-15)11-12-18-16-7-9-17(19)10-8-16/h3-6,13,16-19H,7-12H2,1-2H3.
What are the key properties of 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol?
4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 115149551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).