4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline

C20H26FNO — CID 54796471

IUPAC4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
SMILESCCCCCCCOc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FNO/c1-2-3-4-5-6-15-23-20-13-7-17(8-14-20)16-22-19-11-9-18(21)10-12-19/h7-14,22H,2-6,15-16H2,1H3
InChIKeyFFMAKGMXRZHPRS-UHFFFAOYSA-N
MW315.43 g/mol
LogP5.79
Rot. Bonds10

About 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline

4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline (PubChem CID 54796471) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
PubChem CID54796471
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC Name4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
SMILESCCCCCCCOc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FNO/c1-2-3-4-5-6-15-23-20-13-7-17(8-14-20)16-22-19-11-9-18(21)10-12-19/h7-14,22H,2-6,15-16H2,1H3
InChIKeyFFMAKGMXRZHPRS-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.43
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-[(4-chlorophenyl)methyl]-4-heptoxyaniline
CID 54799311
4-iodo-N-[(4-pentoxyphenyl)methyl]aniline
CID 28975665
4-heptoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54799736
N-[(4-hexoxyphenyl)methyl]-4-(3-methylbutoxy)aniline
CID 54799307
4-heptoxy-N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 54799644
4-heptoxy-N-[(4-phenylphenyl)methyl]aniline
CID 54799378
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N-[(4-pentoxyphenyl)methyl]-4-phenoxyaniline
CID 54796711

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline (CID 54796471) is 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline is CCCCCCCOc1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline?
The InChIKey is FFMAKGMXRZHPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-2-3-4-5-6-15-23-20-13-7-17(8-14-20)16-22-19-11-9-18(21)10-12-19/h7-14,22H,2-6,15-16H2,1H3.
What are the key properties of 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline?
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline has a molecular weight of 315.43 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline is sourced from PubChem (CID 54796471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).