1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

C16H17Cl2NO — CID 60744348

IUPAC1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-20-11-14-5-3-2-4-13(14)10-19-9-12-6-7-15(17)16(18)8-12/h2-8,19H,9-11H2,1H3
InChIKeyVKCHXAPLTBUVGX-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.43
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (PubChem CID 60744348) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
PubChem CID60744348
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-20-11-14-5-3-2-4-13(14)10-19-9-12-6-7-15(17)16(18)8-12/h2-8,19H,9-11H2,1H3
InChIKeyVKCHXAPLTBUVGX-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
1-(3-bromo-4-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 115875971
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303
1-(3,4-dichlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 63478519
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
3-chloro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 102664142

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (CID 60744348) is 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is COCc1ccccc1CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The InChIKey is VKCHXAPLTBUVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-20-11-14-5-3-2-4-13(14)10-19-9-12-6-7-15(17)16(18)8-12/h2-8,19H,9-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine has a molecular weight of 310.22 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 60744348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).