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

C13H21ClN2 — CID 115196146

IUPACN'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-13(2,10-16-9-8-15-3)11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3
InChIKeyMVPJHMFQTZDZRP-UHFFFAOYSA-N
MW240.78 g/mol
LogP2.43
Rot. Bonds6

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

N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine (PubChem CID 115196146) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
PubChem CID115196146
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC NameN'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
SMILESCNCCNCC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2/c1-13(2,10-16-9-8-15-3)11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3
InChIKeyMVPJHMFQTZDZRP-UHFFFAOYSA-N
XLogP2.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222567
[[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
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
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
2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]ethanethiol
CID 115224465
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine (CID 115196146) is N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine is CNCCNCC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine?
The InChIKey is MVPJHMFQTZDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-13(2,10-16-9-8-15-3)11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3.
What are the key properties of N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine?
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine has a molecular weight of 240.78 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 115196146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).