N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline

C19H24FNO2 — CID 83961565

IUPACN-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
SMILESCCCOc1ccc(NCc2ccccc2F)cc1OCCC
InChIInChI=1S/C19H24FNO2/c1-3-11-22-18-10-9-16(13-19(18)23-12-4-2)21-14-15-7-5-6-8-17(15)20/h5-10,13,21H,3-4,11-12,14H2,1-2H3
InChIKeyZLCWFDQBIMVUHQ-UHFFFAOYSA-N
MW317.40 g/mol
LogP5.02
Rot. Bonds9

About N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline

N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline (PubChem CID 83961565) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
PubChem CID83961565
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
SMILESCCCOc1ccc(NCc2ccccc2F)cc1OCCC
InChIInChI=1S/C19H24FNO2/c1-3-11-22-18-10-9-16(13-19(18)23-12-4-2)21-14-15-7-5-6-8-17(15)20/h5-10,13,21H,3-4,11-12,14H2,1-2H3
InChIKeyZLCWFDQBIMVUHQ-UHFFFAOYSA-N
XLogP5.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592209
N-butyl-3,4-dipropoxyaniline
CID 83961551
2-(3,4-dipropoxyanilino)ethanethiol
CID 83961561
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
CID 83961553
4-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39357777
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 112685466
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
4-ethoxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39386882
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline (CID 83961565) is N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline is CCCOc1ccc(NCc2ccccc2F)cc1OCCC.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline?
The InChIKey is ZLCWFDQBIMVUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-3-11-22-18-10-9-16(13-19(18)23-12-4-2)21-14-15-7-5-6-8-17(15)20/h5-10,13,21H,3-4,11-12,14H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline?
N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline has a molecular weight of 317.40 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline is sourced from PubChem (CID 83961565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).