(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine

C12H18FN — CID 93246045

IUPAC(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
SMILESCC[C@H](C)NCCc1cccc(F)c1
InChIInChI=1S/C12H18FN/c1-3-10(2)14-8-7-11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyVLQXVXHUKKIUAT-JTQLQIEISA-N
MW195.28 g/mol
LogP2.76
Rot. Bonds5

About (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine

(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine (PubChem CID 93246045) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
PubChem CID93246045
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
SMILESCC[C@H](C)NCCc1cccc(F)c1
InChIInChI=1S/C12H18FN/c1-3-10(2)14-8-7-11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyVLQXVXHUKKIUAT-JTQLQIEISA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
(2S)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine
CID 73053478
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
2-[2-[2-(3-fluorophenyl)ethylamino]propyl-methylamino]ethanol
CID 131897473
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565905
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565956
N,N-diethyl-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43420356
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine?
The IUPAC name of (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine (CID 93246045) is (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine?
The canonical SMILES for (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine is CC[C@H](C)NCCc1cccc(F)c1.
What is the InChIKey of (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine?
The InChIKey is VLQXVXHUKKIUAT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18FN/c1-3-10(2)14-8-7-11-5-4-6-12(13)9-11/h4-6,9-10,14H,3,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine?
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine is sourced from PubChem (CID 93246045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).