1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol

C15H24Cl2N2O — CID 103904377

IUPAC1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCC(NCC(C)(O)CN(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H24Cl2N2O/c1-5-14(12-7-6-11(16)8-13(12)17)18-9-15(2,20)10-19(3)4/h6-8,14,18,20H,5,9-10H2,1-4H3
InChIKeyTYYVSWWTSVKHOJ-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.35
Rot. Bonds7

About 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103904377) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103904377
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCC(NCC(C)(O)CN(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H24Cl2N2O/c1-5-14(12-7-6-11(16)8-13(12)17)18-9-15(2,20)10-19(3)4/h6-8,14,18,20H,5,9-10H2,1-4H3
InChIKeyTYYVSWWTSVKHOJ-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106144506
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904335
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904398
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
CID 107094120
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415724
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103904377) is 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol is CCC(NCC(C)(O)CN(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is TYYVSWWTSVKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2O/c1-5-14(12-7-6-11(16)8-13(12)17)18-9-15(2,20)10-19(3)4/h6-8,14,18,20H,5,9-10H2,1-4H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 319.28 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103904377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).