(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine

C11H15F2N — CID 90212776

IUPAC(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
SMILESCc1cc(CC[C@H](F)CN)ccc1F
InChIInChI=1S/C11H15F2N/c1-8-6-9(3-5-11(8)13)2-4-10(12)7-14/h3,5-6,10H,2,4,7,14H2,1H3/t10-/m0/s1
InChIKeyRBFWNSZXGNUHIR-JTQLQIEISA-N
MW199.24 g/mol
LogP2.36
Rot. Bonds4

About (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine

(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine (PubChem CID 90212776) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
PubChem CID90212776
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
SMILESCc1cc(CC[C@H](F)CN)ccc1F
InChIInChI=1S/C11H15F2N/c1-8-6-9(3-5-11(8)13)2-4-10(12)7-14/h3,5-6,10H,2,4,7,14H2,1H3/t10-/m0/s1
InChIKeyRBFWNSZXGNUHIR-JTQLQIEISA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
(2S)-4-(4-chloro-3-fluoro-5-methylphenyl)-2-fluorobutan-1-amine
CID 90212636
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
CID 64514428
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040092
N'-[2-(4-fluoro-3-methylphenyl)ethyl]methanediamine
CID 115226004
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine?
The IUPAC name of (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine (CID 90212776) is (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine?
The canonical SMILES for (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine is Cc1cc(CC[C@H](F)CN)ccc1F.
What is the InChIKey of (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine?
The InChIKey is RBFWNSZXGNUHIR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15F2N/c1-8-6-9(3-5-11(8)13)2-4-10(12)7-14/h3,5-6,10H,2,4,7,14H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine?
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine is sourced from PubChem (CID 90212776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).