1-(3,5-difluorophenyl)-2-methylpentan-3-amine

C12H17F2N — CID 105404557

IUPAC1-(3,5-difluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-12(15)8(2)4-9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyPTQHRZUNSLYYPV-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds4

About 1-(3,5-difluorophenyl)-2-methylpentan-3-amine

1-(3,5-difluorophenyl)-2-methylpentan-3-amine (PubChem CID 105404557) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-methylpentan-3-amine
PubChem CID105404557
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(3,5-difluorophenyl)-2-methylpentan-3-amine
SMILESCCC(N)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-12(15)8(2)4-9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyPTQHRZUNSLYYPV-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
(2R)-1-(3,5-difluorophenyl)propane-2-sulfonic acid
CID 165179665
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
1-(3,5-difluorophenyl)-3-propylsulfanylpropan-2-amine
CID 105406246
1-(2,3-difluorophenyl)-2-methylpentan-3-amine
CID 63561895

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-methylpentan-3-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-methylpentan-3-amine (CID 105404557) is 1-(3,5-difluorophenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-methylpentan-3-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-methylpentan-3-amine is CCC(N)C(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-methylpentan-3-amine?
The InChIKey is PTQHRZUNSLYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-12(15)8(2)4-9-5-10(13)7-11(14)6-9/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-methylpentan-3-amine?
1-(3,5-difluorophenyl)-2-methylpentan-3-amine has a molecular weight of 213.27 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 105404557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).