3-fluoro-5-methyl-N-(4-phenylbutyl)aniline

C17H20FN — CID 114333431

IUPAC3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
SMILESCc1cc(F)cc(NCCCCc2ccccc2)c1
InChIInChI=1S/C17H20FN/c1-14-11-16(18)13-17(12-14)19-10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,19H,5-6,9-10H2,1H3
InChIKeyNORJYXJMYNAAPM-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.57
Rot. Bonds6

About 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline

3-fluoro-5-methyl-N-(4-phenylbutyl)aniline (PubChem CID 114333431) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
PubChem CID114333431
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name3-fluoro-5-methyl-N-(4-phenylbutyl)aniline
SMILESCc1cc(F)cc(NCCCCc2ccccc2)c1
InChIInChI=1S/C17H20FN/c1-14-11-16(18)13-17(12-14)19-10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,19H,5-6,9-10H2,1H3
InChIKeyNORJYXJMYNAAPM-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N-(4-phenylbutyl)aniline
CID 114333358
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
3-ethyl-N-(4-phenylbutyl)aniline
CID 114333153
2,5-dimethyl-N-(4-phenylbutyl)aniline
CID 114333158
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
4-[3-(3,5-dimethylanilino)propyl]phenol
CID 83457314
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
3-fluoro-5-methyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513789

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline?
The IUPAC name of 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline (CID 114333431) is 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline.
What is the SMILES notation for 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline?
The canonical SMILES for 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline is Cc1cc(F)cc(NCCCCc2ccccc2)c1.
What is the InChIKey of 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline?
The InChIKey is NORJYXJMYNAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-14-11-16(18)13-17(12-14)19-10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,19H,5-6,9-10H2,1H3.
What are the key properties of 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline?
3-fluoro-5-methyl-N-(4-phenylbutyl)aniline has a molecular weight of 257.35 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-(4-phenylbutyl)aniline is sourced from PubChem (CID 114333431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).