1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol

C19H25NO — CID 62774556

IUPAC1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
SMILESCc1ccc(C(O)(CNC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-14(2)20-13-19(21,17-8-6-5-7-9-17)18-11-10-15(3)12-16(18)4/h5-12,14,20-21H,13H2,1-4H3
InChIKeyUZOXERFYFQNWAH-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.54
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol

1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol (PubChem CID 62774556) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
PubChem CID62774556
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
SMILESCc1ccc(C(O)(CNC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-14(2)20-13-19(21,17-8-6-5-7-9-17)18-11-10-15(3)12-16(18)4/h5-12,14,20-21H,13H2,1-4H3
InChIKeyUZOXERFYFQNWAH-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-1-phenylpentan-1-ol
CID 14907355
2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol
CID 61047988
2-(2,4-dimethylphenyl)-2-(methylamino)-2-phenylethanol
CID 61056739
2-phenyl-1-(propan-2-ylamino)pentan-2-ol
CID 62773592
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
2-ethyl-2-(3-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 55096001
1-(2,4-dimethylphenyl)-2-phenylethane-1,1-diol
CID 175050709
(2,4-dimethylphenyl)-bis(4-methylphenyl)methanol
CID 54297310
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine
CID 131741516
1-(2,4-dimethylphenyl)-1,2-diphenylethanamine;hydrochloride
CID 131741515

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol (CID 62774556) is 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol is Cc1ccc(C(O)(CNC(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol?
The InChIKey is UZOXERFYFQNWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)20-13-19(21,17-8-6-5-7-9-17)18-11-10-15(3)12-16(18)4/h5-12,14,20-21H,13H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol?
1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol has a molecular weight of 283.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 62774556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).