3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine

C15H17ClN2 — CID 113458658

IUPAC3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
SMILESCN(CCc1ccccc1)c1cccc(Cl)c1N
InChIInChI=1S/C15H17ClN2/c1-18(11-10-12-6-3-2-4-7-12)14-9-5-8-13(16)15(14)17/h2-9H,10-11,17H2,1H3
InChIKeyZSUZLCKKPKXTDE-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.60
Rot. Bonds4

About 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine

3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine (PubChem CID 113458658) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
PubChem CID113458658
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
SMILESCN(CCc1ccccc1)c1cccc(Cl)c1N
InChIInChI=1S/C15H17ClN2/c1-18(11-10-12-6-3-2-4-7-12)14-9-5-8-13(16)15(14)17/h2-9H,10-11,17H2,1H3
InChIKeyZSUZLCKKPKXTDE-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.60
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-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070412
3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
CID 104834240
1-(2-amino-3-chloro-N-methylanilino)propan-2-ol
CID 104834446
3-chloro-1-N-[(3-chlorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834227
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
1-N-benzyl-3-chloro-1-N-propan-2-ylbenzene-1,2-diamine
CID 104833916
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-amino-3-[methyl(3-phenylpropyl)amino]benzonitrile
CID 104716362
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine (CID 113458658) is 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine is CN(CCc1ccccc1)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine?
The InChIKey is ZSUZLCKKPKXTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-18(11-10-12-6-3-2-4-7-12)14-9-5-8-13(16)15(14)17/h2-9H,10-11,17H2,1H3.
What are the key properties of 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine?
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine has a molecular weight of 260.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 113458658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).