N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline

C17H19ClFNO — CID 63454836

IUPACN-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
SMILESCCCC(Nc1ccc(F)cc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO/c1-3-4-15(12-5-7-13(18)8-6-12)20-16-10-9-14(19)11-17(16)21-2/h5-11,15,20H,3-4H2,1-2H3
InChIKeyPNCXSSYDNSZKPR-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.44
Rot. Bonds6

About N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline

N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline (PubChem CID 63454836) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
PubChem CID63454836
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
SMILESCCCC(Nc1ccc(F)cc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClFNO/c1-3-4-15(12-5-7-13(18)8-6-12)20-16-10-9-14(19)11-17(16)21-2/h5-11,15,20H,3-4H2,1-2H3
InChIKeyPNCXSSYDNSZKPR-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.80
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
CID 43095521
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221526
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline (CID 63454836) is N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline is CCCC(Nc1ccc(F)cc1OC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline?
The InChIKey is PNCXSSYDNSZKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-4-15(12-5-7-13(18)8-6-12)20-16-10-9-14(19)11-17(16)21-2/h5-11,15,20H,3-4H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline?
N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline has a molecular weight of 307.80 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 63454836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).