1-[4-(difluoromethoxy)phenyl]propan-1-amine

C10H13F2NO — CID 16785593

IUPAC1-[4-(difluoromethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,9-10H,2,13H2,1H3
InChIKeyMIFMZIPFCNEFBM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.70
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]propan-1-amine

1-[4-(difluoromethoxy)phenyl]propan-1-amine (PubChem CID 16785593) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]propan-1-amine
PubChem CID16785593
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,9-10H,2,13H2,1H3
InChIKeyMIFMZIPFCNEFBM-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]propan-1-amine (CID 16785593) is 1-[4-(difluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]propan-1-amine is CCC(N)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]propan-1-amine?
The InChIKey is MIFMZIPFCNEFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-9(13)7-3-5-8(6-4-7)14-10(11)12/h3-6,9-10H,2,13H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]propan-1-amine?
1-[4-(difluoromethoxy)phenyl]propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 16785593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).