2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine

C15H15Cl2NO — CID 115464873

IUPAC2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c16-13-5-6-15(14(17)9-13)19-10-12-4-2-1-3-11(12)7-8-18/h1-6,9H,7-8,10,18H2
InChIKeyNTQBBTOQBCWJLZ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.07
Rot. Bonds5

About 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine

2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine (PubChem CID 115464873) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
PubChem CID115464873
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c16-13-5-6-15(14(17)9-13)19-10-12-4-2-1-3-11(12)7-8-18/h1-6,9H,7-8,10,18H2
InChIKeyNTQBBTOQBCWJLZ-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 115464889
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
CID 12526908
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
2-[2-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464894
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine (CID 115464873) is 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine is NCCc1ccccc1COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine?
The InChIKey is NTQBBTOQBCWJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-5-6-15(14(17)9-13)19-10-12-4-2-1-3-11(12)7-8-18/h1-6,9H,7-8,10,18H2.
What are the key properties of 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine?
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine has a molecular weight of 296.20 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 115464873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).