3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine

C12H17ClN2 — CID 104834148

IUPAC3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
SMILESCC(C1CC1)N(C)c1cccc(Cl)c1N
InChIInChI=1S/C12H17ClN2/c1-8(9-6-7-9)15(2)11-5-3-4-10(13)12(11)14/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyQIJAVHHNYGAFNR-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.16
Rot. Bonds3

About 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine

3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 104834148) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID104834148
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
SMILESCC(C1CC1)N(C)c1cccc(Cl)c1N
InChIInChI=1S/C12H17ClN2/c1-8(9-6-7-9)15(2)11-5-3-4-10(13)12(11)14/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyQIJAVHHNYGAFNR-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(1-cyclopropylethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 43569413
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
CID 104834446
3-chloro-1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 104834825
2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
6-chloro-N-(1-cyclopropylethyl)-N-methylpyridin-2-amine
CID 63588402
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569240
3-chloro-1-N-cyclopentyl-1-N-ethylbenzene-1,2-diamine
CID 104834130
4-(aminomethyl)-N-(1-cyclopropylethyl)-2,3-difluoro-N-methylaniline
CID 114017570
4-N-(1-cyclopropylethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine (CID 104834148) is 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine is CC(C1CC1)N(C)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is QIJAVHHNYGAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-8(9-6-7-9)15(2)11-5-3-4-10(13)12(11)14/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine?
3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 224.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 104834148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).