N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C16H26Cl2N2 — CID 43503297

IUPACN-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCCC(NCC(C)(C)CN(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H26Cl2N2/c1-6-15(13-8-7-12(17)9-14(13)18)19-10-16(2,3)11-20(4)5/h7-9,15,19H,6,10-11H2,1-5H3
InChIKeyDTZJYESTZWKHEG-UHFFFAOYSA-N
MW317.30 g/mol
LogP4.62
Rot. Bonds7

About N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 43503297) has the molecular formula C16H26Cl2N2 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID43503297
Molecular FormulaC16H26Cl2N2
Molecular Weight317.30 g/mol
Exact Mass316.15
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCCC(NCC(C)(C)CN(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H26Cl2N2/c1-6-15(13-8-7-12(17)9-14(13)18)19-10-16(2,3)11-20(4)5/h7-9,15,19H,6,10-11H2,1-5H3
InChIKeyDTZJYESTZWKHEG-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904377
5-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106144506
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
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
CID 107094120
1-[1-(2,4-dichlorophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151471
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107544
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415724
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
N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103910207
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 43503297) is N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine is CCC(NCC(C)(C)CN(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is DTZJYESTZWKHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N2/c1-6-15(13-8-7-12(17)9-14(13)18)19-10-16(2,3)11-20(4)5/h7-9,15,19H,6,10-11H2,1-5H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 317.30 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43503297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).