N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine

C9H13ClN2O — CID 115225518

IUPACN'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
SMILESCOc1ccc(Cl)cc1N(C)CN
InChIInChI=1S/C9H13ClN2O/c1-12(6-11)8-5-7(10)3-4-9(8)13-2/h3-5H,6,11H2,1-2H3
InChIKeyYKOAJVJAHRJGFW-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.70
Rot. Bonds3

About N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine

N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine (PubChem CID 115225518) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
PubChem CID115225518
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
SMILESCOc1ccc(Cl)cc1N(C)CN
InChIInChI=1S/C9H13ClN2O/c1-12(6-11)8-5-7(10)3-4-9(8)13-2/h3-5H,6,11H2,1-2H3
InChIKeyYKOAJVJAHRJGFW-UHFFFAOYSA-N
XLogP1.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.70
H-Bond Donors ≤ 51
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

5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772873
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
3-amino-N-(5-chloro-2-methoxyphenyl)-N-ethylpropanamide
CID 28795390
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
ethyl 2-(5-chloro-N-ethylsulfonyl-2-methoxyanilino)acetate
CID 50895054
3-(5-chloro-N-formyl-2-methoxyanilino)propanoic acid
CID 20848120
5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 114846581
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine (CID 115225518) is N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine is COc1ccc(Cl)cc1N(C)CN.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine?
The InChIKey is YKOAJVJAHRJGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-12(6-11)8-5-7(10)3-4-9(8)13-2/h3-5H,6,11H2,1-2H3.
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine?
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine has a molecular weight of 200.67 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine is sourced from PubChem (CID 115225518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).