4-fluoro-2-[(4-propylphenoxy)methyl]aniline

C16H18FNO — CID 62548026

IUPAC4-fluoro-2-[(4-propylphenoxy)methyl]aniline
SMILESCCCc1ccc(OCc2cc(F)ccc2N)cc1
InChIInChI=1S/C16H18FNO/c1-2-3-12-4-7-15(8-5-12)19-11-13-10-14(17)6-9-16(13)18/h4-10H,2-3,11,18H2,1H3
InChIKeyYLFZMRZVMFGHFQ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.94
Rot. Bonds5

About 4-fluoro-2-[(4-propylphenoxy)methyl]aniline

4-fluoro-2-[(4-propylphenoxy)methyl]aniline (PubChem CID 62548026) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-fluoro-2-[(4-propylphenoxy)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4-propylphenoxy)methyl]aniline
PubChem CID62548026
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-fluoro-2-[(4-propylphenoxy)methyl]aniline
SMILESCCCc1ccc(OCc2cc(F)ccc2N)cc1
InChIInChI=1S/C16H18FNO/c1-2-3-12-4-7-15(8-5-12)19-11-13-10-14(17)6-9-16(13)18/h4-10H,2-3,11,18H2,1H3
InChIKeyYLFZMRZVMFGHFQ-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-difluorophenoxy)methyl]-4-fluoroaniline
CID 62786342
4-fluoro-2-propylaniline
CID 23348947
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
2-[[4-(4-ethylphenyl)phenoxy]methyl]benzene-1,4-diamine
CID 58289288
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
4-chloro-3-[(4-propylphenoxy)methyl]aniline
CID 55191486
4-fluoro-2-(4-propylphenyl)aniline
CID 55110546
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
2-[[4-(ethylaminomethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107902677
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-propylphenoxy)methyl]aniline?
The IUPAC name of 4-fluoro-2-[(4-propylphenoxy)methyl]aniline (CID 62548026) is 4-fluoro-2-[(4-propylphenoxy)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4-propylphenoxy)methyl]aniline?
The canonical SMILES for 4-fluoro-2-[(4-propylphenoxy)methyl]aniline is CCCc1ccc(OCc2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-[(4-propylphenoxy)methyl]aniline?
The InChIKey is YLFZMRZVMFGHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-3-12-4-7-15(8-5-12)19-11-13-10-14(17)6-9-16(13)18/h4-10H,2-3,11,18H2,1H3.
What are the key properties of 4-fluoro-2-[(4-propylphenoxy)methyl]aniline?
4-fluoro-2-[(4-propylphenoxy)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-propylphenoxy)methyl]aniline is sourced from PubChem (CID 62548026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).