3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline

C21H20F2N2 — CID 18334236

IUPAC3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline
SMILESCC(NC(c1ccc(F)cc1)c1cccc(N)c1)c1cccc(F)c1
InChIInChI=1S/C21H20F2N2/c1-14(16-4-2-6-19(23)12-16)25-21(15-8-10-18(22)11-9-15)17-5-3-7-20(24)13-17/h2-14,21,25H,24H2,1H3
InChIKeyRBTPAICOBJBUKG-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.99
Rot. Bonds5

About 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline

3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline (PubChem CID 18334236) has the molecular formula C21H20F2N2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline
PubChem CID18334236
Molecular FormulaC21H20F2N2
Molecular Weight338.40 g/mol
Exact Mass338.16
IUPAC Name3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline
SMILESCC(NC(c1ccc(F)cc1)c1cccc(N)c1)c1cccc(F)c1
InChIInChI=1S/C21H20F2N2/c1-14(16-4-2-6-19(23)12-16)25-21(15-8-10-18(22)11-9-15)17-5-3-7-20(24)13-17/h2-14,21,25H,24H2,1H3
InChIKeyRBTPAICOBJBUKG-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.99
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-[(4-fluorophenyl)-[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]aniline
CID 70189793
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
3-[[1-(3,4-difluorophenyl)ethylamino]-thiophen-2-ylmethyl]aniline
CID 18334203
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[(1S)-1-(3-fluorophenyl)ethyl]but-3-yn-2-amine
CID 104865323
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(1S)-N-(dithiophen-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81353521
N-[(3-aminophenyl)-(4-methoxyphenyl)methyl]-3-fluorobenzamide
CID 18334245
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline?
The IUPAC name of 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline (CID 18334236) is 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline.
What is the SMILES notation for 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline?
The canonical SMILES for 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline is CC(NC(c1ccc(F)cc1)c1cccc(N)c1)c1cccc(F)c1.
What is the InChIKey of 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline?
The InChIKey is RBTPAICOBJBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2/c1-14(16-4-2-6-19(23)12-16)25-21(15-8-10-18(22)11-9-15)17-5-3-7-20(24)13-17/h2-14,21,25H,24H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline?
3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline has a molecular weight of 338.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline is sourced from PubChem (CID 18334236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).