1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine

C11H15F2N — CID 117288723

IUPAC1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(F)c1CF
InChIInChI=1S/C11H15F2N/c1-7-3-9(4-8(2)14)5-11(13)10(7)6-12/h3,5,8H,4,6,14H2,1-2H3
InChIKeyBOQPYHDPBBGMOQ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.49
Rot. Bonds3

About 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine

1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine (PubChem CID 117288723) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
PubChem CID117288723
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
SMILESCc1cc(CC(C)N)cc(F)c1CF
InChIInChI=1S/C11H15F2N/c1-7-3-9(4-8(2)14)5-11(13)10(7)6-12/h3,5,8H,4,6,14H2,1-2H3
InChIKeyBOQPYHDPBBGMOQ-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
CID 117302979
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-(3-bromo-4,5-dimethylphenyl)propan-2-amine
CID 117356903
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817006
1-(8-fluoro-2-methylquinolin-6-yl)propan-2-amine
CID 82577470
1-[3,5-difluoro-4-[(2-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63819924
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine (CID 117288723) is 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine is Cc1cc(CC(C)N)cc(F)c1CF.
What is the InChIKey of 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine?
The InChIKey is BOQPYHDPBBGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7-3-9(4-8(2)14)5-11(13)10(7)6-12/h3,5,8H,4,6,14H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine?
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine is sourced from PubChem (CID 117288723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).