1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine

C13H18FN — CID 66037563

IUPAC1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)c1ccccc1F
InChIInChI=1S/C13H18FN/c1-4-10(2)9-13(15-3)11-7-5-6-8-12(11)14/h5-8,13,15H,2,4,9H2,1,3H3
InChIKeyKCEQJYDTPGXVGU-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine

1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine (PubChem CID 66037563) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
PubChem CID66037563
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)c1ccccc1F
InChIInChI=1S/C13H18FN/c1-4-10(2)9-13(15-3)11-7-5-6-8-12(11)14/h5-8,13,15H,2,4,9H2,1,3H3
InChIKeyKCEQJYDTPGXVGU-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005948
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
1-(2-chloro-3-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003778
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
N-methyl-3-methylidene-1-quinolin-2-ylpentan-1-amine
CID 66036857
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
3-(2-fluorophenyl)-3-(methylamino)propanenitrile
CID 116955204
1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005820
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006106
N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide
CID 145342139

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine (CID 66037563) is 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine is C=C(CC)CC(NC)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine?
The InChIKey is KCEQJYDTPGXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-4-10(2)9-13(15-3)11-7-5-6-8-12(11)14/h5-8,13,15H,2,4,9H2,1,3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine?
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 66037563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).