5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol

C16H25Cl2NO — CID 106144506

IUPAC5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
SMILESCCC(NCC(C)(C)CCCO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2NO/c1-4-15(13-7-6-12(17)10-14(13)18)19-11-16(2,3)8-5-9-20/h6-7,10,15,19-20H,4-5,8-9,11H2,1-3H3
InChIKeyBRGXMCUZTSQGGR-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.83
Rot. Bonds8

About 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol

5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106144506) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
PubChem CID106144506
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
SMILESCCC(NCC(C)(C)CCCO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2NO/c1-4-15(13-7-6-12(17)10-14(13)18)19-11-16(2,3)8-5-9-20/h6-7,10,15,19-20H,4-5,8-9,11H2,1-3H3
InChIKeyBRGXMCUZTSQGGR-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43503297
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
3-[[1-(2,4-dichlorophenyl)propylamino]methyl]hexan-1-ol
CID 106114619
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
CID 106144463

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol (CID 106144506) is 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol is CCC(NCC(C)(C)CCCO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is BRGXMCUZTSQGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-4-15(13-7-6-12(17)10-14(13)18)19-11-16(2,3)8-5-9-20/h6-7,10,15,19-20H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 318.29 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).