3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline

C18H22FNO — CID 43775902

IUPAC3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-3-4-10-17(14-8-6-5-7-9-14)20-15-11-12-18(21-2)16(19)13-15/h5-9,11-13,17,20H,3-4,10H2,1-2H3
InChIKeyDAHDGPMUYWTSIQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.18
Rot. Bonds7

About 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline

3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline (PubChem CID 43775902) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
PubChem CID43775902
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccc(OC)c(F)c1)c1ccccc1
InChIInChI=1S/C18H22FNO/c1-3-4-10-17(14-8-6-5-7-9-14)20-15-11-12-18(21-2)16(19)13-15/h5-9,11-13,17,20H,3-4,10H2,1-2H3
InChIKeyDAHDGPMUYWTSIQ-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-heptan-3-yl-4-methoxyaniline
CID 63944319
3-(3-fluoro-4-methoxyanilino)-3-phenylpropanenitrile
CID 62780205
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
N-(1-phenylpentyl)-1-benzothiophen-5-amine
CID 43781957
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline (CID 43775902) is 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline is CCCCC(Nc1ccc(OC)c(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline?
The InChIKey is DAHDGPMUYWTSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-4-10-17(14-8-6-5-7-9-14)20-15-11-12-18(21-2)16(19)13-15/h5-9,11-13,17,20H,3-4,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline?
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline has a molecular weight of 287.38 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline is sourced from PubChem (CID 43775902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).