4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine

C14H16FN3 — CID 106750235

IUPAC4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H16FN3/c15-11-3-1-10(2-4-11)7-8-18-12-5-6-13(16)14(17)9-12/h1-6,9,18H,7-8,16-17H2
InChIKeyUSOVADRPIGHEBB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.64
Rot. Bonds4

About 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine

4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine (PubChem CID 106750235) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
PubChem CID106750235
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
SMILESNc1ccc(NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H16FN3/c15-11-3-1-10(2-4-11)7-8-18-12-5-6-13(16)14(17)9-12/h1-6,9,18H,7-8,16-17H2
InChIKeyUSOVADRPIGHEBB-UHFFFAOYSA-N
XLogP2.64
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
2-fluoro-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
CID 115123848
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
CID 61380702
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
4-bromo-5-fluoro-1-N-[2-(4-fluorophenyl)ethyl]benzene-1,2-diamine
CID 66112244
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2,4-triamine
CID 106750886
N-[2-(4-fluorophenyl)ethyl]-1,3-benzodioxol-5-amine;hydrochloride
CID 122129534
1-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzene-1,2-diamine
CID 62507280
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115470
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine (CID 106750235) is 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine is Nc1ccc(NCCc2ccc(F)cc2)cc1N.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine?
The InChIKey is USOVADRPIGHEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-11-3-1-10(2-4-11)7-8-18-12-5-6-13(16)14(17)9-12/h1-6,9,18H,7-8,16-17H2.
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine?
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine has a molecular weight of 245.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106750235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).