3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline

C16H18FNO2 — CID 82096015

IUPAC3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
SMILESCOc1ccc(OCCCNc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-15-6-8-16(9-7-15)20-11-3-10-18-14-5-2-4-13(17)12-14/h2,4-9,12,18H,3,10-11H2,1H3
InChIKeyKGRXOFONAYMYGQ-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.72
Rot. Bonds7

About 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline

3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline (PubChem CID 82096015) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
PubChem CID82096015
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
SMILESCOc1ccc(OCCCNc2cccc(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-15-6-8-16(9-7-15)20-11-3-10-18-14-5-2-4-13(17)12-14/h2,4-9,12,18H,3,10-11H2,1H3
InChIKeyKGRXOFONAYMYGQ-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
CID 110880288
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline?
The IUPAC name of 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline (CID 82096015) is 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline.
What is the SMILES notation for 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline?
The canonical SMILES for 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline is COc1ccc(OCCCNc2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline?
The InChIKey is KGRXOFONAYMYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-15-6-8-16(9-7-15)20-11-3-10-18-14-5-2-4-13(17)12-14/h2,4-9,12,18H,3,10-11H2,1H3.
What are the key properties of 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline?
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline has a molecular weight of 275.32 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline is sourced from PubChem (CID 82096015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).