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

C15H25ClN2 — CID 103910216

IUPAC1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(Cc1ccc(Cl)cc1)NCC(C)(C)N(C)C
InChIInChI=1S/C15H25ClN2/c1-12(17-11-15(2,3)18(4)5)10-13-6-8-14(16)9-7-13/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRFQRROUKKWPZSW-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.20
Rot. Bonds6

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

1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 103910216) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID103910216
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCC(Cc1ccc(Cl)cc1)NCC(C)(C)N(C)C
InChIInChI=1S/C15H25ClN2/c1-12(17-11-15(2,3)18(4)5)10-13-6-8-14(16)9-7-13/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRFQRROUKKWPZSW-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103910207
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
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1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 103911457
2-N-[1-(4-chlorophenyl)propan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 103910429
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
2-[1-(4-chlorophenyl)propan-2-ylamino]-2-methylpropan-1-ol
CID 115927458
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 103910216) is 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CC(Cc1ccc(Cl)cc1)NCC(C)(C)N(C)C.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is RFQRROUKKWPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(17-11-15(2,3)18(4)5)10-13-6-8-14(16)9-7-13/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-chlorophenyl)propan-2-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 103910216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).