3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine

C13H20FN — CID 61000357

IUPAC3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
SMILESCCC(Cc1ccc(F)cc1)C(C)NC
InChIInChI=1S/C13H20FN/c1-4-12(10(2)15-3)9-11-5-7-13(14)8-6-11/h5-8,10,12,15H,4,9H2,1-3H3
InChIKeyZFYXMSZZZNHVMJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.00
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine

3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine (PubChem CID 61000357) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
PubChem CID61000357
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
SMILESCCC(Cc1ccc(F)cc1)C(C)NC
InChIInChI=1S/C13H20FN/c1-4-12(10(2)15-3)9-11-5-7-13(14)8-6-11/h5-8,10,12,15H,4,9H2,1-3H3
InChIKeyZFYXMSZZZNHVMJ-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
[3-ethyl-1-(4-fluorophenyl)pentan-2-yl]hydrazine
CID 105198180
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
CID 61000700
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
1-(3-chloro-2-methylpentyl)-4-fluorobenzene
CID 63559740
3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958964
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
4-[(4-fluorophenyl)methyl]-5-methylhexan-2-one
CID 165032071
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine (CID 61000357) is 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine is CCC(Cc1ccc(F)cc1)C(C)NC.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine?
The InChIKey is ZFYXMSZZZNHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-12(10(2)15-3)9-11-5-7-13(14)8-6-11/h5-8,10,12,15H,4,9H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine?
3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine is sourced from PubChem (CID 61000357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).