(2S)-2-(4-ethylphenyl)-2-fluoroethanamine

C10H14FN — CID 129393037

IUPAC(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
SMILESCCc1ccc([C@H](F)CN)cc1
InChIInChI=1S/C10H14FN/c1-2-8-3-5-9(6-4-8)10(11)7-12/h3-6,10H,2,7,12H2,1H3/t10-/m1/s1
InChIKeyREGUKYXTTKGMIF-SNVBAGLBSA-N
MW167.23 g/mol
LogP2.22
Rot. Bonds3

About (2S)-2-(4-ethylphenyl)-2-fluoroethanamine

(2S)-2-(4-ethylphenyl)-2-fluoroethanamine (PubChem CID 129393037) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
PubChem CID129393037
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
SMILESCCc1ccc([C@H](F)CN)cc1
InChIInChI=1S/C10H14FN/c1-2-8-3-5-9(6-4-8)10(11)7-12/h3-6,10H,2,7,12H2,1H3/t10-/m1/s1
InChIKeyREGUKYXTTKGMIF-SNVBAGLBSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
3-(4-ethylphenyl)butan-2-amine
CID 66439374
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446790
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
2-fluoro-2-pyridin-4-ylethanamine
CID 83854923
chloro-(4-ethylphenyl)methanamine
CID 116947710
[4-(difluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 115524847
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-2-fluoroethanamine?
The IUPAC name of (2S)-2-(4-ethylphenyl)-2-fluoroethanamine (CID 129393037) is (2S)-2-(4-ethylphenyl)-2-fluoroethanamine.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-2-fluoroethanamine?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-2-fluoroethanamine is CCc1ccc([C@H](F)CN)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-2-fluoroethanamine?
The InChIKey is REGUKYXTTKGMIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FN/c1-2-8-3-5-9(6-4-8)10(11)7-12/h3-6,10H,2,7,12H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-2-fluoroethanamine?
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine has a molecular weight of 167.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-2-fluoroethanamine is sourced from PubChem (CID 129393037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).