3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol

C16H25NO — CID 43751115

IUPAC3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
SMILESCc1ccc(C)c(C(C)NC2CCCC(O)C2)c1
InChIInChI=1S/C16H25NO/c1-11-7-8-12(2)16(9-11)13(3)17-14-5-4-6-15(18)10-14/h7-9,13-15,17-18H,4-6,10H2,1-3H3
InChIKeyDLSPKRSJLFWJOM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.26
Rot. Bonds3

About 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol

3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol (PubChem CID 43751115) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
PubChem CID43751115
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
SMILESCc1ccc(C)c(C(C)NC2CCCC(O)C2)c1
InChIInChI=1S/C16H25NO/c1-11-7-8-12(2)16(9-11)13(3)17-14-5-4-6-15(18)10-14/h7-9,13-15,17-18H,4-6,10H2,1-3H3
InChIKeyDLSPKRSJLFWJOM-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459539
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43732518
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 82774818
3-(1-phenylethylamino)cyclohexan-1-ol
CID 43751335
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
3-[1-(2,3-difluorophenyl)ethylamino]cyclohexan-1-ol
CID 113352637
3-[1-(4-methylphenoxy)ethylamino]cyclohexan-1-ol;hydrochloride
CID 68626895
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
N-[1-(2,5-dimethylphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998779
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
CID 113289535

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol (CID 43751115) is 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol is Cc1ccc(C)c(C(C)NC2CCCC(O)C2)c1.
What is the InChIKey of 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is DLSPKRSJLFWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-8-12(2)16(9-11)13(3)17-14-5-4-6-15(18)10-14/h7-9,13-15,17-18H,4-6,10H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol?
3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).