2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol

C19H25NO — CID 23322164

IUPAC2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
SMILESCc1ccc(CC(C)NCC(O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-14-9-10-18(15(2)11-14)12-16(3)20-13-19(21)17-7-5-4-6-8-17/h4-11,16,19-21H,12-13H2,1-3H3
InChIKeyFZVZSNYEFRMGLF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.56
Rot. Bonds6

About 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol

2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol (PubChem CID 23322164) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
PubChem CID23322164
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol
SMILESCc1ccc(CC(C)NCC(O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-14-9-10-18(15(2)11-14)12-16(3)20-13-19(21)17-7-5-4-6-8-17/h4-11,16,19-21H,12-13H2,1-3H3
InChIKeyFZVZSNYEFRMGLF-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590
(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
(1R)-2-[[(2R)-1-(2-methylphenyl)propan-2-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 54087155
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
3-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]phenol
CID 129056709
5-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]-3-methylthiophene-2-carboxylic acid
CID 18607075
4-[1-hydroxy-2-[1-(4-methylnaphthalen-1-yl)propan-2-ylamino]ethyl]benzene-1,2-diol
CID 129056721
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
(1R)-1-(4-chlorophenyl)-2-[1-(2-chlorophenyl)propan-2-ylamino]ethanol
CID 70002682
4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]naphthalen-1-ol
CID 163749959

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol (CID 23322164) is 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol is Cc1ccc(CC(C)NCC(O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol?
The InChIKey is FZVZSNYEFRMGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-9-10-18(15(2)11-14)12-16(3)20-13-19(21)17-7-5-4-6-8-17/h4-11,16,19-21H,12-13H2,1-3H3.
What are the key properties of 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol?
2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol has a molecular weight of 283.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)propan-2-ylamino]-1-phenylethanol is sourced from PubChem (CID 23322164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).