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

C12H19ClN2O — CID 115196394

IUPAC1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(Cl)cc1N(C)CC(C)N
InChIInChI=1S/C12H19ClN2O/c1-8-5-12(16-4)11(6-10(8)13)15(3)7-9(2)14/h5-6,9H,7,14H2,1-4H3
InChIKeyPGWXEWNMVJADJO-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.44
Rot. Bonds4

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

1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 115196394) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID115196394
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cc(C)c(Cl)cc1N(C)CC(C)N
InChIInChI=1S/C12H19ClN2O/c1-8-5-12(16-4)11(6-10(8)13)15(3)7-9(2)14/h5-6,9H,7,14H2,1-4H3
InChIKeyPGWXEWNMVJADJO-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
1-(5-chloro-2-methoxy-N,4-dimethylanilino)propan-2-one
CID 115234566
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
4-(5-chloro-2-methoxy-N,4-dimethylanilino)butan-2-one
CID 115235517
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
2-(5-chloro-2-methoxy-N,4-dimethylanilino)propanenitrile
CID 115130001
N-[(4-aminophenyl)methyl]-4-chloro-2-methoxy-N,5-dimethylaniline
CID 39396844
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
(E)-4-(5-chloro-2-methoxy-N,4-dimethylanilino)but-2-enoic acid
CID 115236996
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine (CID 115196394) is 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine is COc1cc(C)c(Cl)cc1N(C)CC(C)N.
What is the InChIKey of 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is PGWXEWNMVJADJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8-5-12(16-4)11(6-10(8)13)15(3)7-9(2)14/h5-6,9H,7,14H2,1-4H3.
What are the key properties of 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine?
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115196394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).