1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol

C17H19Cl2NO — CID 62373504

IUPAC1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol
SMILESCC(NCC(C)(O)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(15-9-8-14(18)10-16(15)19)20-11-17(2,21)13-6-4-3-5-7-13/h3-10,12,20-21H,11H2,1-2H3
InChIKeyMSIKSCONBFGSIQ-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.55
Rot. Bonds5

About 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol

1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol (PubChem CID 62373504) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol
PubChem CID62373504
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol
SMILESCC(NCC(C)(O)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(15-9-8-14(18)10-16(15)19)20-11-17(2,21)13-6-4-3-5-7-13/h3-10,12,20-21H,11H2,1-2H3
InChIKeyMSIKSCONBFGSIQ-UHFFFAOYSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79557984
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol (CID 62373504) is 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol is CC(NCC(C)(O)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol?
The InChIKey is MSIKSCONBFGSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(15-9-8-14(18)10-16(15)19)20-11-17(2,21)13-6-4-3-5-7-13/h3-10,12,20-21H,11H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol?
1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol has a molecular weight of 324.25 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 62373504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).