1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

C13H17Cl2NO3 — CID 79167417

IUPAC1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCC(Cl)=CCl)c(OC)c1
InChIInChI=1S/C13H17Cl2NO3/c1-16-7-9-4-11(17-2)13(12(5-9)18-3)19-8-10(15)6-14/h4-6,16H,7-8H2,1-3H3
InChIKeyXLTQTUVEKALZKJ-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.12
Rot. Bonds7

About 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (PubChem CID 79167417) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
PubChem CID79167417
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCC(Cl)=CCl)c(OC)c1
InChIInChI=1S/C13H17Cl2NO3/c1-16-7-9-4-11(17-2)13(12(5-9)18-3)19-8-10(15)6-14/h4-6,16H,7-8H2,1-3H3
InChIKeyXLTQTUVEKALZKJ-UHFFFAOYSA-N
XLogP3.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
N-[[3-chloro-4-(2,3-dichloroprop-2-enoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 79166838
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
1-[3,5-dichloro-2-(2,3-dichloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 79168378
N-[[5-chloro-2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664949
3-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62326748
N-[[4-(2,3-dichloroprop-2-enoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79892169
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43622304
1-[4-(3-ethoxypropoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 65176513
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]-N-methylmethanamine
CID 66045193

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (CID 79167417) is 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)c(OCC(Cl)=CCl)c(OC)c1.
What is the InChIKey of 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The InChIKey is XLTQTUVEKALZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-16-7-9-4-11(17-2)13(12(5-9)18-3)19-8-10(15)6-14/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine has a molecular weight of 306.19 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichloroprop-2-enoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 79167417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).