4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline

C13H18FN — CID 134579409

IUPAC4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
SMILESC=C(CC)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-4-11(2)9-10-15(3)13-7-5-12(14)6-8-13/h5-8H,2,4,9-10H2,1,3H3
InChIKeyLCYVWLJCTJJMTG-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.62
Rot. Bonds5

About 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline

4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline (PubChem CID 134579409) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
PubChem CID134579409
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline
SMILESC=C(CC)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN/c1-4-11(2)9-10-15(3)13-7-5-12(14)6-8-13/h5-8H,2,4,9-10H2,1,3H3
InChIKeyLCYVWLJCTJJMTG-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N-propylaniline
CID 23197529
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
CID 47057182
3-(4-fluoro-N-methylanilino)-1-(2-methylphenyl)propan-1-one
CID 62629701
1-fluoro-4-(2-methylidenebutyl)benzene
CID 91243133
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
4-(4-fluoro-N-methylanilino)butanenitrile
CID 60965381
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555568
4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789532
4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79315040

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline (CID 134579409) is 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline is C=C(CC)CCN(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline?
The InChIKey is LCYVWLJCTJJMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-4-11(2)9-10-15(3)13-7-5-12(14)6-8-13/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline?
4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline has a molecular weight of 207.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(3-methylidenepentyl)aniline is sourced from PubChem (CID 134579409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).