4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol

C15H24N2O — CID 43178531

IUPAC4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
SMILESCN(C)c1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(2)14-7-3-12(4-8-14)11-16-13-5-9-15(18)10-6-13/h3-4,7-8,13,15-16,18H,5-6,9-11H2,1-2H3
InChIKeyKHRIDOMMZSXDQV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol

4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 43178531) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
PubChem CID43178531
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol
SMILESCN(C)c1ccc(CNC2CCC(O)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(2)14-7-3-12(4-8-14)11-16-13-5-9-15(18)10-6-13/h3-4,7-8,13,15-16,18H,5-6,9-11H2,1-2H3
InChIKeyKHRIDOMMZSXDQV-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-[[(3-ethylcyclopentyl)amino]methyl]-N,N-dimethylaniline
CID 64500811
2-[4-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 60657574
N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[4-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280922
5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201217
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol (CID 43178531) is 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol is CN(C)c1ccc(CNC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is KHRIDOMMZSXDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(2)14-7-3-12(4-8-14)11-16-13-5-9-15(18)10-6-13/h3-4,7-8,13,15-16,18H,5-6,9-11H2,1-2H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol?
4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43178531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).