1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine

C13H21ClN2O — CID 116954431

IUPAC1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C13H21ClN2O/c1-7-8(2)12(17-6)10(9(3)11(7)14)13(15-4)16-5/h13,15-16H,1-6H3
InChIKeyGGDRCVZIUQDSMJ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.71
Rot. Bonds4

About 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine

1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine (PubChem CID 116954431) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine
PubChem CID116954431
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C13H21ClN2O/c1-7-8(2)12(17-6)10(9(3)11(7)14)13(15-4)16-5/h13,15-16H,1-6H3
InChIKeyGGDRCVZIUQDSMJ-UHFFFAOYSA-N
XLogP2.71
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.71
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

2-amino-2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116830570
2-amino-1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868707
azetidin-3-yl-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methanamine
CID 116935416
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
2-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-chloro-N-methylethanamine
CID 116952703
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 116925315
(2R)-2-amino-2-(3,5-dichloro-2-methoxy-4,6-dimethylphenyl)ethanol
CID 66515838
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-methyloxetan-3-amine
CID 116872827

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine (CID 116954431) is 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine is CNC(NC)c1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine?
The InChIKey is GGDRCVZIUQDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-7-8(2)12(17-6)10(9(3)11(7)14)13(15-4)16-5/h13,15-16H,1-6H3.
What are the key properties of 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine?
1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine has a molecular weight of 256.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).