1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine

C17H19Cl2NO — CID 106861750

IUPAC1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-11-4-5-13(16(19)8-11)10-21-17-7-6-14(18)9-15(17)12(2)20-3/h4-9,12,20H,10H2,1-3H3
InChIKeyKXJVONZRLXVLMI-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.16
Rot. Bonds5

About 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine

1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 106861750) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID106861750
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Cl)ccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-11-4-5-13(16(19)8-11)10-21-17-7-6-14(18)9-15(17)12(2)20-3/h4-9,12,20H,10H2,1-3H3
InChIKeyKXJVONZRLXVLMI-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 103046401
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63638938
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 63499236
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711
1-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 55135205
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine (CID 106861750) is 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Cl)ccc1OCc1ccc(C)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is KXJVONZRLXVLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-4-5-13(16(19)8-11)10-21-17-7-6-14(18)9-15(17)12(2)20-3/h4-9,12,20H,10H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine?
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 324.25 g/mol, XLogP of 5.16, 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-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 106861750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).