N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine

C12H19ClN2O — CID 96674694

IUPACN'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C12H19ClN2O/c1-9-7-12(16-4)11(8-10(9)13)15(3)6-5-14-2/h7-8,14H,5-6H2,1-4H3
InChIKeySOZRMLFVYPMHIM-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.31
Rot. Bonds5

About N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine

N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 96674694) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID96674694
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C12H19ClN2O/c1-9-7-12(16-4)11(8-10(9)13)15(3)6-5-14-2/h7-8,14H,5-6H2,1-4H3
InChIKeySOZRMLFVYPMHIM-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
CID 115226674
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
N'-(3,5-dichloro-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96680421
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
N'-(2-methoxy-4-propan-2-ylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 98784055
(E)-4-(5-chloro-2-methoxy-N,4-dimethylanilino)but-2-enoic acid
CID 115236996
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260949

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine (CID 96674694) is N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SOZRMLFVYPMHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-9-7-12(16-4)11(8-10(9)13)15(3)6-5-14-2/h7-8,14H,5-6H2,1-4H3.
What are the key properties of N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 96674694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).