1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol

C16H25Cl2NO — CID 107151471

IUPAC1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
SMILESCCC(NCC(O)CC(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2NO/c1-5-15(13-7-6-11(17)8-14(13)18)19-10-12(20)9-16(2,3)4/h6-8,12,15,19-20H,5,9-10H2,1-4H3
InChIKeyKXJJYKKKKCPHEI-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.83
Rot. Bonds6

About 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol

1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107151471) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
PubChem CID107151471
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
SMILESCCC(NCC(O)CC(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2NO/c1-5-15(13-7-6-11(17)8-14(13)18)19-10-12(20)9-16(2,3)4/h6-8,12,15,19-20H,5,9-10H2,1-4H3
InChIKeyKXJJYKKKKCPHEI-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
CID 106114619
5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106144506
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43503297
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol (CID 107151471) is 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol is CCC(NCC(O)CC(C)(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is KXJJYKKKKCPHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-5-15(13-7-6-11(17)8-14(13)18)19-10-12(20)9-16(2,3)4/h6-8,12,15,19-20H,5,9-10H2,1-4H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol?
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 318.29 g/mol, XLogP of 4.83, 6 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)propylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).