2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine

C12H19ClN2O — CID 117039901

IUPAC2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1c(C)cc(Cl)cc1N(C)C(C)CN
InChIInChI=1S/C12H19ClN2O/c1-8-5-10(13)6-11(12(8)16-4)15(3)9(2)7-14/h5-6,9H,7,14H2,1-4H3
InChIKeyJODALUXBJSCOGQ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.44
Rot. Bonds4

About 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine

2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039901) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID117039901
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1c(C)cc(Cl)cc1N(C)C(C)CN
InChIInChI=1S/C12H19ClN2O/c1-8-5-10(13)6-11(12(8)16-4)15(3)9(2)7-14/h5-6,9H,7,14H2,1-4H3
InChIKeyJODALUXBJSCOGQ-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

2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
CID 82499843
2-(5-chloro-2-methoxy-N,3-dimethylanilino)ethanethiol
CID 115223816
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
CID 115216751
(5-chloro-2-methoxy-3-methylphenyl)-methylcarbamothioic S-acid
CID 115169836
3-amino-1-(5-chloro-2-methoxy-3-methylphenyl)-2-hydroxypropan-1-one
CID 116826612
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
(2R)-3-(4-chloro-2,6-dimethylphenoxy)-2-methylpropan-1-amine
CID 44593042

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine (CID 117039901) is 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine is COc1c(C)cc(Cl)cc1N(C)C(C)CN.
What is the InChIKey of 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is JODALUXBJSCOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8-5-10(13)6-11(12(8)16-4)15(3)9(2)7-14/h5-6,9H,7,14H2,1-4H3.
What are the key properties of 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-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 2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).