3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline

C22H23FN2 — CID 18334158

IUPAC3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline
SMILESNc1cccc(C(NCCCc2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H23FN2/c23-20-13-11-18(12-14-20)22(19-9-4-10-21(24)16-19)25-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16,22,25H,5,8,15,24H2
InChIKeyNQILPROVHYWCFK-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.72
Rot. Bonds7

About 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline

3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline (PubChem CID 18334158) has the molecular formula C22H23FN2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline
PubChem CID18334158
Molecular FormulaC22H23FN2
Molecular Weight334.44 g/mol
Exact Mass334.18
IUPAC Name3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline
SMILESNc1cccc(C(NCCCc2ccccc2)c2ccc(F)cc2)c1
InChIInChI=1S/C22H23FN2/c23-20-13-11-18(12-14-20)22(19-9-4-10-21(24)16-19)25-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16,22,25H,5,8,15,24H2
InChIKeyNQILPROVHYWCFK-UHFFFAOYSA-N
XLogP4.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
3-[(3,3-diphenylpropylamino)-(4-methoxyphenyl)methyl]aniline
CID 18347065
3-[(4-fluorophenyl)-[1-(3-fluorophenyl)ethylamino]methyl]aniline
CID 18334236
3-[(4-fluorophenyl)-[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]aniline
CID 70189793
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
1-(3-fluorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60906498
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
1-(3-aminophenyl)-2-(3-phenylpropoxy)ethanol
CID 62268993
N-[(3,4-dimethoxy-5-nitrophenyl)-(4-fluorophenyl)methyl]-2-phenylethanamine
CID 174419967
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline?
The IUPAC name of 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline (CID 18334158) is 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline.
What is the SMILES notation for 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline?
The canonical SMILES for 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline is Nc1cccc(C(NCCCc2ccccc2)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline?
The InChIKey is NQILPROVHYWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2/c23-20-13-11-18(12-14-20)22(19-9-4-10-21(24)16-19)25-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-14,16,22,25H,5,8,15,24H2.
What are the key properties of 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline?
3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline has a molecular weight of 334.44 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-(3-phenylpropylamino)methyl]aniline is sourced from PubChem (CID 18334158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).