(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine

C9H12Cl2N2 — CID 94343262

IUPAC(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN[C@H](CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-4,8,13H,5,12H2,1H3/t8-/m1/s1
InChIKeyAWDHXXBQVMIWJJ-MRVPVSSYSA-N
MW219.12 g/mol
LogP2.21
Rot. Bonds3

About (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine

(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine (PubChem CID 94343262) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
PubChem CID94343262
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN[C@H](CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-4,8,13H,5,12H2,1H3/t8-/m1/s1
InChIKeyAWDHXXBQVMIWJJ-MRVPVSSYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141888
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
CID 65385758
1-(2,3-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544833
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
[1-(2,3-dichlorophenyl)-3-methylbutyl]hydrazine
CID 105198986
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
2-(2,3-dichlorophenyl)-2-methoxyethanamine
CID 66071961
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine (CID 94343262) is (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine is CN[C@H](CN)c1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is AWDHXXBQVMIWJJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-4,8,13H,5,12H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine?
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 219.12 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 94343262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).