2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine

C15H15Cl2NO — CID 65321564

IUPAC2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-19-13-4-2-3-10(8-13)15(18)9-11-7-12(16)5-6-14(11)17/h2-8,15H,9,18H2,1H3
InChIKeyUVORLLZGGQLSAQ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine

2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 65321564) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID65321564
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-19-13-4-2-3-10(8-13)15(18)9-11-7-12(16)5-6-14(11)17/h2-8,15H,9,18H2,1H3
InChIKeyUVORLLZGGQLSAQ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
CID 64621667
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
2-(3-chlorophenyl)sulfinyl-1-(3-methoxyphenyl)ethanamine
CID 64658769
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(4-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 114855171
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine (CID 65321564) is 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is UVORLLZGGQLSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-19-13-4-2-3-10(8-13)15(18)9-11-7-12(16)5-6-14(11)17/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine?
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 65321564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).