3-(3,5-difluoro-4-methylphenyl)propan-1-amine

C10H13F2N — CID 117280226

IUPAC3-(3,5-difluoro-4-methylphenyl)propan-1-amine
SMILESCc1c(F)cc(CCCN)cc1F
InChIInChI=1S/C10H13F2N/c1-7-9(11)5-8(3-2-4-13)6-10(7)12/h5-6H,2-4,13H2,1H3
InChIKeyMOZRFNFPTZKEDT-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.16
Rot. Bonds3

About 3-(3,5-difluoro-4-methylphenyl)propan-1-amine

3-(3,5-difluoro-4-methylphenyl)propan-1-amine (PubChem CID 117280226) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methylphenyl)propan-1-amine
PubChem CID117280226
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name3-(3,5-difluoro-4-methylphenyl)propan-1-amine
SMILESCc1c(F)cc(CCCN)cc1F
InChIInChI=1S/C10H13F2N/c1-7-9(11)5-8(3-2-4-13)6-10(7)12/h5-6H,2-4,13H2,1H3
InChIKeyMOZRFNFPTZKEDT-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,5-difluoro-4-methylphenyl)propan-1-amine (CID 117280226) is 3-(3,5-difluoro-4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-difluoro-4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,5-difluoro-4-methylphenyl)propan-1-amine is Cc1c(F)cc(CCCN)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-methylphenyl)propan-1-amine?
The InChIKey is MOZRFNFPTZKEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7-9(11)5-8(3-2-4-13)6-10(7)12/h5-6H,2-4,13H2,1H3.
What are the key properties of 3-(3,5-difluoro-4-methylphenyl)propan-1-amine?
3-(3,5-difluoro-4-methylphenyl)propan-1-amine has a molecular weight of 185.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methylphenyl)propan-1-amine is sourced from PubChem (CID 117280226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).