1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine

C15H25ClN2 — CID 115222567

IUPAC1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-14(2,10-18-11-15(3,4)17-5)12-6-8-13(16)9-7-12/h6-9,17-18H,10-11H2,1-5H3
InChIKeyGKPJEVUWPLIKIY-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.21
Rot. Bonds6

About 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine

1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222567) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222567
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-14(2,10-18-11-15(3,4)17-5)12-6-8-13(16)9-7-12/h6-9,17-18H,10-11H2,1-5H3
InChIKeyGKPJEVUWPLIKIY-UHFFFAOYSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
(E)-4-[[2-(4-chlorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237399
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439
1-N-[(2,4-dichlorophenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222295
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222567) is 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is GKPJEVUWPLIKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-14(2,10-18-11-15(3,4)17-5)12-6-8-13(16)9-7-12/h6-9,17-18H,10-11H2,1-5H3.
What are the key properties of 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).