4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline

C17H20FNO — CID 114870959

IUPAC4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCOc1ccc(NC(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(13-6-5-7-14(18)12-13)19-15-8-10-16(11-9-15)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyNZAWOOUIZNWPME-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.79
Rot. Bonds6

About 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline

4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline (PubChem CID 114870959) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
PubChem CID114870959
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCOc1ccc(NC(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO/c1-3-17(13-6-5-7-14(18)12-13)19-15-8-10-16(11-9-15)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyNZAWOOUIZNWPME-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143
2-ethoxy-N-[1-(3-fluorophenyl)propyl]-4-methylaniline
CID 114871410
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline?
The IUPAC name of 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline (CID 114870959) is 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline.
What is the SMILES notation for 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline?
The canonical SMILES for 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline is CCOc1ccc(NC(CC)c2cccc(F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline?
The InChIKey is NZAWOOUIZNWPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-17(13-6-5-7-14(18)12-13)19-15-8-10-16(11-9-15)20-4-2/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline?
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline is sourced from PubChem (CID 114870959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).