3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline

C16H18FNO2 — CID 115980186

IUPAC3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
SMILESCOCCc1ccc(OCc2cc(N)cc(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-7-6-12-2-4-16(5-3-12)20-11-13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7,11,18H2,1H3
InChIKeyLZVNSMUSMDNFPP-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.18
Rot. Bonds6

About 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline

3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline (PubChem CID 115980186) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
PubChem CID115980186
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
SMILESCOCCc1ccc(OCc2cc(N)cc(F)c2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-7-6-12-2-4-16(5-3-12)20-11-13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7,11,18H2,1H3
InChIKeyLZVNSMUSMDNFPP-UHFFFAOYSA-N
XLogP3.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridin-2-amine
CID 62194855
3-bromo-4-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 60790726
3-fluoro-5-[(3-iodophenoxy)methyl]aniline
CID 112646506
1-(2-methoxyethyl)-4-[(3-propan-2-ylphenyl)methoxy]benzene
CID 168937708
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
2-[[4-(2-methoxyethyl)phenoxy]methyl]-6-methylpyrimidin-4-amine
CID 80654778
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
3-methoxy-5-[(4-methylsulfanylphenoxy)methyl]aniline
CID 81150277
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
CID 58289339
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline?
The IUPAC name of 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline (CID 115980186) is 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline.
What is the SMILES notation for 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline?
The canonical SMILES for 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline is COCCc1ccc(OCc2cc(N)cc(F)c2)cc1.
What is the InChIKey of 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline?
The InChIKey is LZVNSMUSMDNFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-7-6-12-2-4-16(5-3-12)20-11-13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7,11,18H2,1H3.
What are the key properties of 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline?
3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline has a molecular weight of 275.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[4-(2-methoxyethyl)phenoxy]methyl]aniline is sourced from PubChem (CID 115980186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).