(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine

C10H14FN — CID 90212789

IUPAC(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCN[C@H](CF)c1ccc(C)cc1
InChIInChI=1S/C10H14FN/c1-8-3-5-9(6-4-8)10(7-11)12-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1
InChIKeyUZIBVZOIBAEHOJ-SNVBAGLBSA-N
MW167.23 g/mol
LogP2.23
Rot. Bonds3

About (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine

(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 90212789) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID90212789
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCN[C@H](CF)c1ccc(C)cc1
InChIInChI=1S/C10H14FN/c1-8-3-5-9(6-4-8)10(7-11)12-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1
InChIKeyUZIBVZOIBAEHOJ-SNVBAGLBSA-N
XLogP2.23
TPSA12.03 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N-methyl-1-(4-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105092320
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64652155
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
2-[2-hydroxyethyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099134

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine (CID 90212789) is (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine is CN[C@H](CF)c1ccc(C)cc1.
What is the InChIKey of (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is UZIBVZOIBAEHOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14FN/c1-8-3-5-9(6-4-8)10(7-11)12-2/h3-6,10,12H,7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine?
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 167.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 90212789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).