1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

C16H16Cl2FNO — CID 103046401

IUPAC1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16Cl2FNO/c1-10(20-2)14-8-13(18)4-6-16(14)21-9-11-7-12(17)3-5-15(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyIRVIBNMZUZLPSS-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.99
Rot. Bonds5

About 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine

1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 103046401) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID103046401
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H16Cl2FNO/c1-10(20-2)14-8-13(18)4-6-16(14)21-9-11-7-12(17)3-5-15(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyIRVIBNMZUZLPSS-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 106861750
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 78933101
1-[5-chloro-2-(ethoxymethoxy)phenyl]-N-methylethanamine
CID 65369845
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
1-(5-chloro-2-octoxyphenyl)-N-methylethanamine
CID 63499596
1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 104796252
1-[5-chloro-2-(3-methylbut-3-enoxy)phenyl]-N-methylethanamine
CID 114471551

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine (CID 103046401) is 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is IRVIBNMZUZLPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(20-2)14-8-13(18)4-6-16(14)21-9-11-7-12(17)3-5-15(11)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 103046401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).