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

C15H15Cl2NO — CID 60880694

IUPAC1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(18)13-4-2-3-5-15(13)19-9-11-6-7-12(16)8-14(11)17/h2-8,10H,9,18H2,1H3
InChIKeyCOAXTQXTHQQCDQ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.59
Rot. Bonds4

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

1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine (PubChem CID 60880694) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
PubChem CID60880694
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-10(18)13-4-2-3-5-15(13)19-9-11-6-7-12(16)8-14(11)17/h2-8,10H,9,18H2,1H3
InChIKeyCOAXTQXTHQQCDQ-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 79555825
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine (CID 60880694) is 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine is CC(N)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is COAXTQXTHQQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(18)13-4-2-3-5-15(13)19-9-11-6-7-12(16)8-14(11)17/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine?
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60880694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).