3-fluoro-2-methyl-N-(1-phenylpentyl)aniline

C18H22FN — CID 63453826

IUPAC3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1cccc(F)c1C)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-4-12-18(15-9-6-5-7-10-15)20-17-13-8-11-16(19)14(17)2/h5-11,13,18,20H,3-4,12H2,1-2H3
InChIKeyVABJBWLYSXAPTG-UHFFFAOYSA-N
MW271.38 g/mol
LogP5.48
Rot. Bonds6

About 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline

3-fluoro-2-methyl-N-(1-phenylpentyl)aniline (PubChem CID 63453826) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
PubChem CID63453826
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1cccc(F)c1C)c1ccccc1
InChIInChI=1S/C18H22FN/c1-3-4-12-18(15-9-6-5-7-10-15)20-17-13-8-11-16(19)14(17)2/h5-11,13,18,20H,3-4,12H2,1-2H3
InChIKeyVABJBWLYSXAPTG-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
CID 43787294
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
N-(1-phenylpentyl)-1H-indazol-7-amine
CID 43788123
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline?
The IUPAC name of 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline (CID 63453826) is 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline?
The canonical SMILES for 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline is CCCCC(Nc1cccc(F)c1C)c1ccccc1.
What is the InChIKey of 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline?
The InChIKey is VABJBWLYSXAPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-3-4-12-18(15-9-6-5-7-10-15)20-17-13-8-11-16(19)14(17)2/h5-11,13,18,20H,3-4,12H2,1-2H3.
What are the key properties of 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline?
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline has a molecular weight of 271.38 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-N-(1-phenylpentyl)aniline is sourced from PubChem (CID 63453826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).