2-[1-(dimethylamino)cyclohexyl]phenol

C14H21NO — CID 115031583

IUPAC2-[1-(dimethylamino)cyclohexyl]phenol
SMILESCN(C)C1(c2ccccc2O)CCCCC1
InChIInChI=1S/C14H21NO/c1-15(2)14(10-6-3-7-11-14)12-8-4-5-9-13(12)16/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3
InChIKeyIUCPKQVEZSGQCN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.11
Rot. Bonds2

About 2-[1-(dimethylamino)cyclohexyl]phenol

2-[1-(dimethylamino)cyclohexyl]phenol (PubChem CID 115031583) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(dimethylamino)cyclohexyl]phenol.

Molecular Properties

Compound Name2-[1-(dimethylamino)cyclohexyl]phenol
PubChem CID115031583
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(dimethylamino)cyclohexyl]phenol
SMILESCN(C)C1(c2ccccc2O)CCCCC1
InChIInChI=1S/C14H21NO/c1-15(2)14(10-6-3-7-11-14)12-8-4-5-9-13(12)16/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3
InChIKeyIUCPKQVEZSGQCN-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(dimethylamino)cyclopentyl]phenol
CID 115024209
1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
CID 115049925
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
2-[1-(dimethylamino)cyclopentyl]benzaldehyde
CID 115030249
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
2-[2-[cyclohexylmethyl(methyl)amino]-1,2-dimethylcycloheptyl]phenol
CID 20571919
2-[1-(fluoromethyl)cyclohexyl]phenol
CID 84722739
benzene-1,2-diol;cyclohexane
CID 175415805
N-benzyl-N-methyl-1-phenylcyclohexan-1-amine
CID 86069546
2-(1-hydroxycyclohexyl)-6-methylphenol
CID 117104328
2-[1-(1,1-difluoroethyl)cyclobutyl]phenol
CID 84723399
2-[1-(3-hydroxyphenyl)cyclohexyl]phenol
CID 57034536

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)cyclohexyl]phenol?
The IUPAC name of 2-[1-(dimethylamino)cyclohexyl]phenol (CID 115031583) is 2-[1-(dimethylamino)cyclohexyl]phenol.
What is the SMILES notation for 2-[1-(dimethylamino)cyclohexyl]phenol?
The canonical SMILES for 2-[1-(dimethylamino)cyclohexyl]phenol is CN(C)C1(c2ccccc2O)CCCCC1.
What is the InChIKey of 2-[1-(dimethylamino)cyclohexyl]phenol?
The InChIKey is IUCPKQVEZSGQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15(2)14(10-6-3-7-11-14)12-8-4-5-9-13(12)16/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-[1-(dimethylamino)cyclohexyl]phenol?
2-[1-(dimethylamino)cyclohexyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)cyclohexyl]phenol is sourced from PubChem (CID 115031583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).