1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

C16H17Cl2NO2 — CID 43646631

IUPAC1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1cc(Cl)ccc1OC
InChIInChI=1S/C16H17Cl2NO2/c1-19-9-11-7-13(17)4-6-16(11)21-10-12-8-14(18)3-5-15(12)20-2/h3-8,19H,9-10H2,1-2H3
InChIKeyFASPUJRZBNMYTL-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.30
Rot. Bonds6

About 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 43646631) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID43646631
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1OCc1cc(Cl)ccc1OC
InChIInChI=1S/C16H17Cl2NO2/c1-19-9-11-7-13(17)4-6-16(11)21-10-12-8-14(18)3-5-15(12)20-2/h3-8,19H,9-10H2,1-2H3
InChIKeyFASPUJRZBNMYTL-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
N-[[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 43646629
1-[3-[(2,5-dichlorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 65318650
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (CID 43646631) is 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1OCc1cc(Cl)ccc1OC.
What is the InChIKey of 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is FASPUJRZBNMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-19-9-11-7-13(17)4-6-16(11)21-10-12-8-14(18)3-5-15(12)20-2/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 326.22 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 43646631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).