4-fluoro-2-(octoxymethyl)aniline

C15H24FNO — CID 43382254

IUPAC4-fluoro-2-(octoxymethyl)aniline
SMILESCCCCCCCCOCc1cc(F)ccc1N
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-7-10-18-12-13-11-14(16)8-9-15(13)17/h8-9,11H,2-7,10,12,17H2,1H3
InChIKeyWCXOXWLGJCYINQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP4.28
Rot. Bonds9

About 4-fluoro-2-(octoxymethyl)aniline

4-fluoro-2-(octoxymethyl)aniline (PubChem CID 43382254) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-fluoro-2-(octoxymethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(octoxymethyl)aniline
PubChem CID43382254
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-fluoro-2-(octoxymethyl)aniline
SMILESCCCCCCCCOCc1cc(F)ccc1N
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-7-10-18-12-13-11-14(16)8-9-15(13)17/h8-9,11H,2-7,10,12,17H2,1H3
InChIKeyWCXOXWLGJCYINQ-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(hexoxymethyl)aniline
CID 64768637
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
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CID 67191637
2,5-bis(octoxymethyl)benzene-1,4-diamine
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4-fluoro-2-octoxyaniline
CID 43128998
4-fluoro-2-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43443918
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
4-fluoro-2-propylaniline
CID 23348947
4-amino-3-(butoxymethyl)benzoic acid
CID 174748446
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(octoxymethyl)aniline?
The IUPAC name of 4-fluoro-2-(octoxymethyl)aniline (CID 43382254) is 4-fluoro-2-(octoxymethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(octoxymethyl)aniline?
The canonical SMILES for 4-fluoro-2-(octoxymethyl)aniline is CCCCCCCCOCc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(octoxymethyl)aniline?
The InChIKey is WCXOXWLGJCYINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-3-4-5-6-7-10-18-12-13-11-14(16)8-9-15(13)17/h8-9,11H,2-7,10,12,17H2,1H3.
What are the key properties of 4-fluoro-2-(octoxymethyl)aniline?
4-fluoro-2-(octoxymethyl)aniline has a molecular weight of 253.36 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(octoxymethyl)aniline is sourced from PubChem (CID 43382254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).