[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine

C15H15Cl2NO2 — CID 115951928

IUPAC[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(Cl)cc1COc1c(Cl)cccc1CN
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-6-5-12(16)7-11(14)9-20-15-10(8-18)3-2-4-13(15)17/h2-7H,8-9,18H2,1H3
InChIKeyATSBICILTIUTIZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.04
Rot. Bonds5

About [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine

[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 115951928) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID115951928
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(Cl)cc1COc1c(Cl)cccc1CN
InChIInChI=1S/C15H15Cl2NO2/c1-19-14-6-5-12(16)7-11(14)9-20-15-10(8-18)3-2-4-13(15)17/h2-7H,8-9,18H2,1H3
InChIKeyATSBICILTIUTIZ-UHFFFAOYSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine with MolForge

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Related Compounds

[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
CID 115956557
[3,5-dichloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanol
CID 43646746
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
1-bromo-3-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methoxy]benzene
CID 63536729
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine (CID 115951928) is [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine is COc1ccc(Cl)cc1COc1c(Cl)cccc1CN.
What is the InChIKey of [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is ATSBICILTIUTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-14-6-5-12(16)7-11(14)9-20-15-10(8-18)3-2-4-13(15)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine?
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 312.20 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 115951928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).