1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine

C14H20FN — CID 105005948

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)c1cccc(C)c1F
InChIInChI=1S/C14H20FN/c1-5-10(2)9-13(16-4)12-8-6-7-11(3)14(12)15/h6-8,13,16H,2,5,9H2,1,3-4H3
InChIKeyVXEIMTLRDYOROG-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.75
Rot. Bonds5

About 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine

1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine (PubChem CID 105005948) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
PubChem CID105005948
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)c1cccc(C)c1F
InChIInChI=1S/C14H20FN/c1-5-10(2)9-13(16-4)12-8-6-7-11(3)14(12)15/h6-8,13,16H,2,5,9H2,1,3-4H3
InChIKeyVXEIMTLRDYOROG-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.75
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-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
[1-(2,3-dimethylphenyl)-3-methylidenepentyl]hydrazine
CID 105320228
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005820
1-(2-fluoro-3-methylphenyl)propan-1-ol
CID 115787793
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848387
1-(2-chloro-3-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003778
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine (CID 105005948) is 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine is C=C(CC)CC(NC)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
The InChIKey is VXEIMTLRDYOROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-5-10(2)9-13(16-4)12-8-6-7-11(3)14(12)15/h6-8,13,16H,2,5,9H2,1,3-4H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 105005948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).