N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine

C11H17ClN2O — CID 115226674

IUPACN'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C11H17ClN2O/c1-8-5-11(15-4)9(12)6-10(8)14(3)7-13-2/h5-6,13H,7H2,1-4H3
InChIKeyLPJALCYVOMPLFQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.27
Rot. Bonds4

About N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine

N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine (PubChem CID 115226674) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
PubChem CID115226674
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine
SMILESCNCN(C)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C11H17ClN2O/c1-8-5-11(15-4)9(12)6-10(8)14(3)7-13-2/h5-6,13H,7H2,1-4H3
InChIKeyLPJALCYVOMPLFQ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
N,N'-dimethyl-N'-(2,4,5-trimethoxyphenyl)methanediamine
CID 115226740
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197672
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
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

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine (CID 115226674) is N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine is CNCN(C)c1cc(Cl)c(OC)cc1C.
What is the InChIKey of N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is LPJALCYVOMPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8-5-11(15-4)9(12)6-10(8)14(3)7-13-2/h5-6,13H,7H2,1-4H3.
What are the key properties of N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine?
N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 228.72 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-4-methoxy-2-methylphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 115226674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).