N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine

C11H17ClN2O — CID 115226535

IUPACN'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
SMILESCNCNc1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-7-5-9(15-4)11(14-6-13-3)8(2)10(7)12/h5,13-14H,6H2,1-4H3
InChIKeyCAWSTIWAOJDBDU-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.55
Rot. Bonds4

About N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine

N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine (PubChem CID 115226535) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
PubChem CID115226535
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
SMILESCNCNc1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C11H17ClN2O/c1-7-5-9(15-4)11(14-6-13-3)8(2)10(7)12/h5,13-14H,6H2,1-4H3
InChIKeyCAWSTIWAOJDBDU-UHFFFAOYSA-N
XLogP2.55
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)butane-1,4-diamine
CID 115201004
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
1-[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]-N-methylmethanamine
CID 116963630
N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115262572
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
N'-(2,3-dichloro-4-methoxyphenyl)-N-methylmethanediamine
CID 115226587
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine?
The IUPAC name of N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine (CID 115226535) is N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine?
The canonical SMILES for N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine is CNCNc1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine?
The InChIKey is CAWSTIWAOJDBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-7-5-9(15-4)11(14-6-13-3)8(2)10(7)12/h5,13-14H,6H2,1-4H3.
What are the key properties of N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine?
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine has a molecular weight of 228.72 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine is sourced from PubChem (CID 115226535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).