3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine

C16H15Cl2F2NO — CID 112539072

IUPAC3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
SMILESCOc1c(Cl)cc(CC(CN)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C16H15Cl2F2NO/c1-22-16-13(17)5-9(6-14(16)18)4-10(8-21)12-7-11(19)2-3-15(12)20/h2-3,5-7,10H,4,8,21H2,1H3
InChIKeyROEIXOWFOYCBSQ-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.57
Rot. Bonds5

About 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine

3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine (PubChem CID 112539072) has the molecular formula C16H15Cl2F2NO and a molecular weight of 346.20 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
PubChem CID112539072
Molecular FormulaC16H15Cl2F2NO
Molecular Weight346.20 g/mol
Exact Mass345.05
IUPAC Name3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
SMILESCOc1c(Cl)cc(CC(CN)c2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C16H15Cl2F2NO/c1-22-16-13(17)5-9(6-14(16)18)4-10(8-21)12-7-11(19)2-3-15(12)20/h2-3,5-7,10H,4,8,21H2,1H3
InChIKeyROEIXOWFOYCBSQ-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
4-[3-amino-2-(4-fluorophenyl)propyl]-2-chloro-6-methoxyphenol
CID 82160859
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
CID 83819971
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine (CID 112539072) is 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine is COc1c(Cl)cc(CC(CN)c2cc(F)ccc2F)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
The InChIKey is ROEIXOWFOYCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2NO/c1-22-16-13(17)5-9(6-14(16)18)4-10(8-21)12-7-11(19)2-3-15(12)20/h2-3,5-7,10H,4,8,21H2,1H3.
What are the key properties of 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine?
3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine has a molecular weight of 346.20 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 112539072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).