[4-(difluoromethoxy)phenyl]-phenylmethanamine

C14H13F2NO — CID 4962202

IUPAC[4-(difluoromethoxy)phenyl]-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2NO/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,13-14H,17H2
InChIKeySNPZHPCBEJLTAZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.34
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-phenylmethanamine

[4-(difluoromethoxy)phenyl]-phenylmethanamine (PubChem CID 4962202) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-phenylmethanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-phenylmethanamine
PubChem CID4962202
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[4-(difluoromethoxy)phenyl]-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2NO/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,13-14H,17H2
InChIKeySNPZHPCBEJLTAZ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(difluoromethoxy)phenyl]-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 31721
CID 31721
CID 4541
CID 4541
CID 3058751
CID 3058751
CID 75452
CID 75452
CID 9797657
CID 9797657
CID 571846
CID 571846
CID 56263
CID 56263
CID 135236
CID 135236
CID 47003377
CID 47003377
CID 793467
CID 793467
CID 238181
CID 238181
CID 6951129
CID 6951129

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-phenylmethanamine?
The IUPAC name of [4-(difluoromethoxy)phenyl]-phenylmethanamine (CID 4962202) is [4-(difluoromethoxy)phenyl]-phenylmethanamine.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-phenylmethanamine?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-phenylmethanamine is NC(c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-phenylmethanamine?
The InChIKey is SNPZHPCBEJLTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,13-14H,17H2.
What are the key properties of [4-(difluoromethoxy)phenyl]-phenylmethanamine?
[4-(difluoromethoxy)phenyl]-phenylmethanamine has a molecular weight of 249.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-phenylmethanamine is sourced from PubChem (CID 4962202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).