4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline

C19H17FN2 — CID 11289344

IUPAC4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,21-22H2
InChIKeyGASLUCZZSPSQCS-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.17
Rot. Bonds3

About 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline

4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline (PubChem CID 11289344) has the molecular formula C19H17FN2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
PubChem CID11289344
Molecular FormulaC19H17FN2
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H17FN2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,21-22H2
InChIKeyGASLUCZZSPSQCS-UHFFFAOYSA-N
XLogP4.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

lithium;4-fluoroaniline;hydride
CID 173323574
4-[bis(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 166514655
CID 136701578
CID 136701578
1,4-difluorobenzene bromide
CID 21301175
bis(4-fluorophenyl)methanamine
CID 10955039
2-amino-5-[bis(4-fluorophenyl)methyl]benzoic acid
CID 102233570
4-[(4-aminophenyl)-(3,4-dimethylphenyl)methyl]aniline
CID 146638185
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
bis(4-fluorophenyl)methylsilane
CID 71348038
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
4-(difluoromethyl)aniline;ethane
CID 178149856

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline (CID 11289344) is 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline is Nc1ccc(C(c2ccc(N)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline?
The InChIKey is GASLUCZZSPSQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,21-22H2.
What are the key properties of 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline?
4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline has a molecular weight of 292.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 11289344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).