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

C15H25ClN2 — CID 115133060

IUPAC2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-14(2,10-18-15(3,4)11-17-5)12-6-8-13(16)9-7-12/h6-9,17-18H,10-11H2,1-5H3
InChIKeyKJZMHYWRQJGQLD-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.21
Rot. Bonds6

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

2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115133060) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115133060
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-14(2,10-18-15(3,4)11-17-5)12-6-8-13(16)9-7-12/h6-9,17-18H,10-11H2,1-5H3
InChIKeyKJZMHYWRQJGQLD-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

1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222567
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132726
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
CID 115133071
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920825
1-[2-(4-chlorophenyl)-2-methylpropyl]-2,3-dimethylguanidine;hydroiodide
CID 110920824

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115133060) is 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is KJZMHYWRQJGQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-14(2,10-18-15(3,4)11-17-5)12-6-8-13(16)9-7-12/h6-9,17-18H,10-11H2,1-5H3.
What are the key properties of 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-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 2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115133060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).