1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine

C16H17F2N — CID 79731856

IUPAC1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-3-16(19)12-6-4-5-11(8-12)13-7-10(2)14(17)9-15(13)18/h4-9,16H,3,19H2,1-2H3
InChIKeyRTYYWBJWIANGMR-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.35
Rot. Bonds3

About 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine

1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine (PubChem CID 79731856) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
PubChem CID79731856
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-3-16(19)12-6-4-5-11(8-12)13-7-10(2)14(17)9-15(13)18/h4-9,16H,3,19H2,1-2H3
InChIKeyRTYYWBJWIANGMR-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine (CID 79731856) is 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine is CCC(N)c1cccc(-c2cc(C)c(F)cc2F)c1.
What is the InChIKey of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine?
The InChIKey is RTYYWBJWIANGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-16(19)12-6-4-5-11(8-12)13-7-10(2)14(17)9-15(13)18/h4-9,16H,3,19H2,1-2H3.
What are the key properties of 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine?
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 79731856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).