4-N-(3-fluoropropyl)benzene-1,2,4-triamine

C9H14FN3 — CID 126976135

IUPAC4-N-(3-fluoropropyl)benzene-1,2,4-triamine
SMILESNc1ccc(NCCCF)cc1N
InChIInChI=1S/C9H14FN3/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h2-3,6,13H,1,4-5,11-12H2
InChIKeyUWSVOJYYCCNXBT-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.62
Rot. Bonds4

About 4-N-(3-fluoropropyl)benzene-1,2,4-triamine

4-N-(3-fluoropropyl)benzene-1,2,4-triamine (PubChem CID 126976135) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-N-(3-fluoropropyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(3-fluoropropyl)benzene-1,2,4-triamine
PubChem CID126976135
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name4-N-(3-fluoropropyl)benzene-1,2,4-triamine
SMILESNc1ccc(NCCCF)cc1N
InChIInChI=1S/C9H14FN3/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h2-3,6,13H,1,4-5,11-12H2
InChIKeyUWSVOJYYCCNXBT-UHFFFAOYSA-N
XLogP1.62
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937
2-bromo-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 163404766
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
3-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81107325
4-N-[2-(2-methylpropoxy)ethyl]benzene-1,2,4-triamine
CID 106751223
4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133127
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoropropyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(3-fluoropropyl)benzene-1,2,4-triamine (CID 126976135) is 4-N-(3-fluoropropyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(3-fluoropropyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(3-fluoropropyl)benzene-1,2,4-triamine is Nc1ccc(NCCCF)cc1N.
What is the InChIKey of 4-N-(3-fluoropropyl)benzene-1,2,4-triamine?
The InChIKey is UWSVOJYYCCNXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-4-1-5-13-7-2-3-8(11)9(12)6-7/h2-3,6,13H,1,4-5,11-12H2.
What are the key properties of 4-N-(3-fluoropropyl)benzene-1,2,4-triamine?
4-N-(3-fluoropropyl)benzene-1,2,4-triamine has a molecular weight of 183.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoropropyl)benzene-1,2,4-triamine is sourced from PubChem (CID 126976135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).