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

C19H25NO — CID 61047988

IUPAC2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol
SMILESCc1ccc(C(CO)(NC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-14(2)20-19(13-21,17-8-6-5-7-9-17)18-11-10-15(3)12-16(18)4/h5-12,14,20-21H,13H2,1-4H3
InChIKeyDEWGBSOMGQKNGV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.54
Rot. Bonds5

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

2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol (PubChem CID 61047988) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol
PubChem CID61047988
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol
SMILESCc1ccc(C(CO)(NC(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-14(2)20-19(13-21,17-8-6-5-7-9-17)18-11-10-15(3)12-16(18)4/h5-12,14,20-21H,13H2,1-4H3
InChIKeyDEWGBSOMGQKNGV-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

Pronethalol
CID 4930
2-{[(2-Methylphenyl)methyl]amino}-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647918
AN-1792
CID 3029491
1,3-Propanediol, 2-(((1,1'-biphenyl)-4-ylmethyl)amino)-2-methyl-, hydrochloride
CID 149654
Butidrine
CID 15177
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920
1-Phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
CID 6464095
Pronetalol, (R)-
CID 6604181
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
N-methyl-1,2-diphenylethanolamine
CID 99708
1,3-Propanediol, 2-methyl-2-((1-phenanthrenylmethyl)amino)-, hydrochloride
CID 149660
1,3-Propanediol, 2-methyl-2-((4-phenanthrenylmethyl)amino)-, hydrochloride
CID 150413

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol (CID 61047988) is 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol is Cc1ccc(C(CO)(NC(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol?
The InChIKey is DEWGBSOMGQKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)20-19(13-21,17-8-6-5-7-9-17)18-11-10-15(3)12-16(18)4/h5-12,14,20-21H,13H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol?
2-(2,4-dimethylphenyl)-2-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 2-(2,4-dimethylphenyl)-2-phenyl-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 61047988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).