3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine

C13H20FN — CID 114347085

IUPAC3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1ccc(F)cc1C
InChIInChI=1S/C13H20FN/c1-4-13(15,5-2)9-11-6-7-12(14)8-10(11)3/h6-8H,4-5,9,15H2,1-3H3
InChIKeyXSGMHWRGRPUDAL-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.19
Rot. Bonds4

About 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine

3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine (PubChem CID 114347085) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
PubChem CID114347085
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1ccc(F)cc1C
InChIInChI=1S/C13H20FN/c1-4-13(15,5-2)9-11-6-7-12(14)8-10(11)3/h6-8H,4-5,9,15H2,1-3H3
InChIKeyXSGMHWRGRPUDAL-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707
2-(2-bromophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347080
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114347101
3-amino-2-[(4-fluoro-2-methylphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899883
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865108

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine?
The IUPAC name of 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine (CID 114347085) is 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine is CCC(N)(CC)Cc1ccc(F)cc1C.
What is the InChIKey of 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine?
The InChIKey is XSGMHWRGRPUDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-13(15,5-2)9-11-6-7-12(14)8-10(11)3/h6-8H,4-5,9,15H2,1-3H3.
What are the key properties of 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine?
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 114347085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).