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

C16H27ClN2 — CID 103910429

IUPAC2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(Cc1ccc(Cl)cc1)NC(CN(C)C)C(C)C
InChIInChI=1S/C16H27ClN2/c1-12(2)16(11-19(4)5)18-13(3)10-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,10-11H2,1-5H3
InChIKeyMYXDBDRBTOXACH-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.45
Rot. Bonds7

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

2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 103910429) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID103910429
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(Cc1ccc(Cl)cc1)NC(CN(C)C)C(C)C
InChIInChI=1S/C16H27ClN2/c1-12(2)16(11-19(4)5)18-13(3)10-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,10-11H2,1-5H3
InChIKeyMYXDBDRBTOXACH-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

N-[1-(4-chlorophenyl)propan-2-yl]but-3-en-2-amine
CID 115898593
1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103910216
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
N-[1-(4-chlorophenyl)propan-2-yl]pent-4-yn-2-amine
CID 103911051
2-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 63454265
N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103910207
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 103910429) is 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(Cc1ccc(Cl)cc1)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is MYXDBDRBTOXACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-12(2)16(11-19(4)5)18-13(3)10-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,10-11H2,1-5H3.
What are the key properties of 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-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 2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 103910429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).