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

C19H25FN2 — CID 91059511

IUPAC4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline
SMILESCCCC(CCNCc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2/c1-2-3-16(17-6-8-18(20)9-7-17)12-13-22-14-15-4-10-19(21)11-5-15/h4-11,16,22H,2-3,12-14,21H2,1H3
InChIKeyRRLNTLHNFOFKIT-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.47
Rot. Bonds8

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

4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline (PubChem CID 91059511) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline
PubChem CID91059511
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Name4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline
SMILESCCCC(CCNCc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2/c1-2-3-16(17-6-8-18(20)9-7-17)12-13-22-14-15-4-10-19(21)11-5-15/h4-11,16,22H,2-3,12-14,21H2,1H3
InChIKeyRRLNTLHNFOFKIT-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline?
The IUPAC name of 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline (CID 91059511) is 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline.
What is the SMILES notation for 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline?
The canonical SMILES for 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline is CCCC(CCNCc1ccc(N)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline?
The InChIKey is RRLNTLHNFOFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-2-3-16(17-6-8-18(20)9-7-17)12-13-22-14-15-4-10-19(21)11-5-15/h4-11,16,22H,2-3,12-14,21H2,1H3.
What are the key properties of 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline?
4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline has a molecular weight of 300.42 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline is sourced from PubChem (CID 91059511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).