2-[(4-methylphenyl)methylamino]cyclohexan-1-ol

C14H21NO — CID 60714627

IUPAC2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1ccc(CNC2CCCCC2O)cc1
InChIInChI=1S/C14H21NO/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3
InChIKeyCDSPVIXXJWCQDG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds3

About 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol

2-[(4-methylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 60714627) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
PubChem CID60714627
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1ccc(CNC2CCCCC2O)cc1
InChIInChI=1S/C14H21NO/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3
InChIKeyCDSPVIXXJWCQDG-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 71502123
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol (CID 60714627) is 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol is Cc1ccc(CNC2CCCCC2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is CDSPVIXXJWCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-8-12(9-7-11)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol?
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60714627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).