N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine

C14H13F2N — CID 60752788

IUPACN-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
SMILESFc1cc(F)cc(CNCc2ccccc2)c1
InChIInChI=1S/C14H13F2N/c15-13-6-12(7-14(16)8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyTYULHRRFDVLVFF-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.25
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine

N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine (PubChem CID 60752788) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
PubChem CID60752788
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
SMILESFc1cc(F)cc(CNCc2ccccc2)c1
InChIInChI=1S/C14H13F2N/c15-13-6-12(7-14(16)8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2
InChIKeyTYULHRRFDVLVFF-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
N-[(5-fluoro-3-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 169111460

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine (CID 60752788) is N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine is Fc1cc(F)cc(CNCc2ccccc2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine?
The InChIKey is TYULHRRFDVLVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c15-13-6-12(7-14(16)8-13)10-17-9-11-4-2-1-3-5-11/h1-8,17H,9-10H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine?
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine has a molecular weight of 233.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 60752788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).