3-[(2-fluorophenyl)methyl]pentan-2-amine

C12H18FN — CID 60999151

IUPAC3-[(2-fluorophenyl)methyl]pentan-2-amine
SMILESCCC(Cc1ccccc1F)C(C)N
InChIInChI=1S/C12H18FN/c1-3-10(9(2)14)8-11-6-4-5-7-12(11)13/h4-7,9-10H,3,8,14H2,1-2H3
InChIKeyJPUPRENXAVGWTM-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.74
Rot. Bonds4

About 3-[(2-fluorophenyl)methyl]pentan-2-amine

3-[(2-fluorophenyl)methyl]pentan-2-amine (PubChem CID 60999151) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]pentan-2-amine
PubChem CID60999151
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-[(2-fluorophenyl)methyl]pentan-2-amine
SMILESCCC(Cc1ccccc1F)C(C)N
InChIInChI=1S/C12H18FN/c1-3-10(9(2)14)8-11-6-4-5-7-12(11)13/h4-7,9-10H,3,8,14H2,1-2H3
InChIKeyJPUPRENXAVGWTM-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methyl]pentan-2-amine
CID 61000121
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
(2S,3S)-3-benzylpentan-2-amine
CID 93427085
1-[2-(chloromethyl)-3-methylbutyl]-2-fluorobenzene
CID 66036123
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092
1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene
CID 87128788
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
1-[2-(bromomethyl)butyl]-2-fluorobenzene
CID 66041853
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]pentan-2-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]pentan-2-amine (CID 60999151) is 3-[(2-fluorophenyl)methyl]pentan-2-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]pentan-2-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]pentan-2-amine is CCC(Cc1ccccc1F)C(C)N.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]pentan-2-amine?
The InChIKey is JPUPRENXAVGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-3-10(9(2)14)8-11-6-4-5-7-12(11)13/h4-7,9-10H,3,8,14H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]pentan-2-amine?
3-[(2-fluorophenyl)methyl]pentan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]pentan-2-amine is sourced from PubChem (CID 60999151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).