1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine

C15H13ClF3NO — CID 63817670

IUPAC1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C15H13ClF3NO/c1-8(20)4-9-5-12(18)15(13(19)6-9)21-14-3-2-10(17)7-11(14)16/h2-3,5-8H,4,20H2,1H3
InChIKeyVNRSRXWEQDAHKV-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.44
Rot. Bonds4

About 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine

1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine (PubChem CID 63817670) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
PubChem CID63817670
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1
InChIInChI=1S/C15H13ClF3NO/c1-8(20)4-9-5-12(18)15(13(19)6-9)21-14-3-2-10(17)7-11(14)16/h2-3,5-8H,4,20H2,1H3
InChIKeyVNRSRXWEQDAHKV-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817006
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
CID 63803510
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine (CID 63817670) is 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine is CC(N)Cc1cc(F)c(Oc2ccc(F)cc2Cl)c(F)c1.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine?
The InChIKey is VNRSRXWEQDAHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-8(20)4-9-5-12(18)15(13(19)6-9)21-14-3-2-10(17)7-11(14)16/h2-3,5-8H,4,20H2,1H3.
What are the key properties of 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine?
1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine has a molecular weight of 315.72 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine is sourced from PubChem (CID 63817670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).