N'-(3-fluorophenyl)-N-phenylmethanediamine

C13H13FN2 — CID 141068458

IUPACN'-(3-fluorophenyl)-N-phenylmethanediamine
SMILESFc1cccc(NCNc2ccccc2)c1
InChIInChI=1S/C13H13FN2/c14-11-5-4-8-13(9-11)16-10-15-12-6-2-1-3-7-12/h1-9,15-16H,10H2
InChIKeyZMNFWYCJJBHKCG-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.31
Rot. Bonds4

About N'-(3-fluorophenyl)-N-phenylmethanediamine

N'-(3-fluorophenyl)-N-phenylmethanediamine (PubChem CID 141068458) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-phenylmethanediamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-phenylmethanediamine
PubChem CID141068458
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC NameN'-(3-fluorophenyl)-N-phenylmethanediamine
SMILESFc1cccc(NCNc2ccccc2)c1
InChIInChI=1S/C13H13FN2/c14-11-5-4-8-13(9-11)16-10-15-12-6-2-1-3-7-12/h1-9,15-16H,10H2
InChIKeyZMNFWYCJJBHKCG-UHFFFAOYSA-N
XLogP3.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-phenylaniline
CID 2774466
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-[2-[(3-fluoroanilino)methyl]phenyl]acetic acid
CID 115461455
(E)-4-(3-fluoroanilino)but-2-en-1-ol
CID 115015864
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
N,N'-diphenylmethanediamine;ethane-1,2-diol
CID 160711297
N-(3-fluorophenyl)-3-phenylaniline
CID 126702115
3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088099
3-fluoro-N-methylaniline
CID 2759011
3-fluoro-N-pent-3-ynylaniline
CID 104744056
3-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 43095548

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-phenylmethanediamine?
The IUPAC name of N'-(3-fluorophenyl)-N-phenylmethanediamine (CID 141068458) is N'-(3-fluorophenyl)-N-phenylmethanediamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N-phenylmethanediamine?
The canonical SMILES for N'-(3-fluorophenyl)-N-phenylmethanediamine is Fc1cccc(NCNc2ccccc2)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-phenylmethanediamine?
The InChIKey is ZMNFWYCJJBHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-11-5-4-8-13(9-11)16-10-15-12-6-2-1-3-7-12/h1-9,15-16H,10H2.
What are the key properties of N'-(3-fluorophenyl)-N-phenylmethanediamine?
N'-(3-fluorophenyl)-N-phenylmethanediamine has a molecular weight of 216.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-phenylmethanediamine is sourced from PubChem (CID 141068458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).