4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline

C17H20FNO — CID 82095998

IUPAC4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
SMILESCc1ccccc1OCCCCNc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-14-6-2-3-7-17(14)20-13-5-4-12-19-16-10-8-15(18)9-11-16/h2-3,6-11,19H,4-5,12-13H2,1H3
InChIKeySRLWNHGVYANQFC-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.41
Rot. Bonds7

About 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline

4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline (PubChem CID 82095998) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
PubChem CID82095998
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
SMILESCc1ccccc1OCCCCNc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-14-6-2-3-7-17(14)20-13-5-4-12-19-16-10-8-15(18)9-11-16/h2-3,6-11,19H,4-5,12-13H2,1H3
InChIKeySRLWNHGVYANQFC-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.41
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-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 55088214
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
N-[2-(2-methylphenoxy)ethyl]-4-(3-phenylpropoxy)aniline
CID 54801188
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567
N-[2-(2-methylphenoxy)ethyl]-4-nitroaniline
CID 60526977
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-methyl-2-pentadecoxybenzene
CID 154641785

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline?
The IUPAC name of 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline (CID 82095998) is 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline.
What is the SMILES notation for 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline?
The canonical SMILES for 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline is Cc1ccccc1OCCCCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline?
The InChIKey is SRLWNHGVYANQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-14-6-2-3-7-17(14)20-13-5-4-12-19-16-10-8-15(18)9-11-16/h2-3,6-11,19H,4-5,12-13H2,1H3.
What are the key properties of 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline?
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline is sourced from PubChem (CID 82095998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).