2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline

C20H19FN2 — CID 139982463

IUPAC2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
SMILESNc1ccccc1C(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN2/c21-17-12-10-15(11-13-17)14-23-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)22/h1-13,20,23H,14,22H2
InChIKeyFLDMITRFUVOMFH-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.29
Rot. Bonds5

About 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline

2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline (PubChem CID 139982463) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
PubChem CID139982463
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
SMILESNc1ccccc1C(NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN2/c21-17-12-10-15(11-13-17)14-23-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)22/h1-13,20,23H,14,22H2
InChIKeyFLDMITRFUVOMFH-UHFFFAOYSA-N
XLogP4.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-aminophenyl)-(benzylamino)methyl]benzonitrile
CID 118686869
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000493
N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
CID 22051255
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43433338
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
2-[1-(benzylamino)propyl]aniline
CID 12628946
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54803862
(1R)-1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 92707818
1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 62020325
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline?
The IUPAC name of 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline (CID 139982463) is 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline.
What is the SMILES notation for 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline?
The canonical SMILES for 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline is Nc1ccccc1C(NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline?
The InChIKey is FLDMITRFUVOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c21-17-12-10-15(11-13-17)14-23-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)22/h1-13,20,23H,14,22H2.
What are the key properties of 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline?
2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline has a molecular weight of 306.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline is sourced from PubChem (CID 139982463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).