1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine

C15H14Cl3NO — CID 63499414

IUPAC1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3NO/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-13(17)14(18)6-10/h2-7,9H,8,19H2,1H3
InChIKeyAGKHNLUQVUQRDL-UHFFFAOYSA-N
MW330.64 g/mol
LogP5.25
Rot. Bonds4

About 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine

1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 63499414) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID63499414
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3NO/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-13(17)14(18)6-10/h2-7,9H,8,19H2,1H3
InChIKeyAGKHNLUQVUQRDL-UHFFFAOYSA-N
XLogP5.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[2-[(3-chloro-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 103037859
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102880442
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
(1S)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78932663
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine (CID 63499414) is 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine is CC(N)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is AGKHNLUQVUQRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-9(19)12-7-11(16)3-5-15(12)20-8-10-2-4-13(17)14(18)6-10/h2-7,9H,8,19H2,1H3.
What are the key properties of 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine?
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 330.64 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63499414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).