N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine

C14H23ClN2 — CID 55088823

IUPACN-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Cl)c1)CC(C)(C)C
InChIInChI=1S/C14H23ClN2/c1-14(2,3)11-17(4)9-8-16-13-7-5-6-12(15)10-13/h5-7,10,16H,8-9,11H2,1-4H3
InChIKeySNNHXNXRFKGHNB-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.73
Rot. Bonds5

About N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine

N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine (PubChem CID 55088823) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
PubChem CID55088823
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Cl)c1)CC(C)(C)C
InChIInChI=1S/C14H23ClN2/c1-14(2,3)11-17(4)9-8-16-13-7-5-6-12(15)10-13/h5-7,10,16H,8-9,11H2,1-4H3
InChIKeySNNHXNXRFKGHNB-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067875
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62560444
N-(3-chlorophenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62558742
N'-[2-(3-chloroanilino)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997769
3-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 62597642
N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63503941
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
N'-(3-chlorophenyl)ethane-1,2-diamine
CID 11008376
3-chloro-N-(2-methylsulfanylethyl)aniline
CID 62581736
N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892732
N'-[2-(3-chloroanilino)ethyl]-N,N'-bis(2-chloroethyl)ethane-1,2-diamine
CID 178074870

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine (CID 55088823) is N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine is CN(CCNc1cccc(Cl)c1)CC(C)(C)C.
What is the InChIKey of N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
The InChIKey is SNNHXNXRFKGHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-14(2,3)11-17(4)9-8-16-13-7-5-6-12(15)10-13/h5-7,10,16H,8-9,11H2,1-4H3.
What are the key properties of N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine?
N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55088823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).