1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine

C21H19Cl2NO — CID 22483298

IUPAC1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15(19-8-5-9-20(22)21(19)23)24-14-16-10-12-18(13-11-16)25-17-6-3-2-4-7-17/h2-13,15,24H,14H2,1H3
InChIKeyALMGCWVVRNPQNJ-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.64
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine

1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine (PubChem CID 22483298) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
PubChem CID22483298
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H19Cl2NO/c1-15(19-8-5-9-20(22)21(19)23)24-14-16-10-12-18(13-11-16)25-17-6-3-2-4-7-17/h2-13,15,24H,14H2,1H3
InChIKeyALMGCWVVRNPQNJ-UHFFFAOYSA-N
XLogP6.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375061
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
N-[(4-ethylphenyl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106899409
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
2-[3-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81375367

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine (CID 22483298) is 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine is CC(NCc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
The InChIKey is ALMGCWVVRNPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15(19-8-5-9-20(22)21(19)23)24-14-16-10-12-18(13-11-16)25-17-6-3-2-4-7-17/h2-13,15,24H,14H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine has a molecular weight of 372.30 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 22483298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).