N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

C16H27ClN2 — CID 103910207

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCC(Cc1ccc(Cl)cc1)NCC(C)(C)CN(C)C
InChIInChI=1S/C16H27ClN2/c1-13(10-14-6-8-15(17)9-7-14)18-11-16(2,3)12-19(4)5/h6-9,13,18H,10-12H2,1-5H3
InChIKeyUIQOYRGFKRIDHK-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.45
Rot. Bonds7

About N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 103910207) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID103910207
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCC(Cc1ccc(Cl)cc1)NCC(C)(C)CN(C)C
InChIInChI=1S/C16H27ClN2/c1-13(10-14-6-8-15(17)9-7-14)18-11-16(2,3)12-19(4)5/h6-9,13,18H,10-12H2,1-5H3
InChIKeyUIQOYRGFKRIDHK-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103910216
4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
CID 106145228
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192150
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
N-[1-(2,4-dichlorophenyl)propyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43503297
2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103910429
2-[1-(4-chlorophenyl)propan-2-ylamino]-2-methylpropan-1-ol
CID 115927458
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 103910207) is N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is CC(Cc1ccc(Cl)cc1)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is UIQOYRGFKRIDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-13(10-14-6-8-15(17)9-7-14)18-11-16(2,3)12-19(4)5/h6-9,13,18H,10-12H2,1-5H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 282.86 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 103910207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).