(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine

C11H16FN — CID 93424532

IUPAC(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
SMILESCN[C@@H](C)CCc1ccccc1F
InChIInChI=1S/C11H16FN/c1-9(13-2)7-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyMRLBCWSOGFGALZ-VIFPVBQESA-N
MW181.25 g/mol
LogP2.37
Rot. Bonds4

About (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine

(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine (PubChem CID 93424532) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
PubChem CID93424532
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
SMILESCN[C@@H](C)CCc1ccccc1F
InChIInChI=1S/C11H16FN/c1-9(13-2)7-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyMRLBCWSOGFGALZ-VIFPVBQESA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
4-(2-fluorophenyl)butan-2-ol
CID 12618518
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
N-(2-bromoprop-2-enyl)-4-(2-fluorophenyl)butan-2-amine
CID 115717239
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
5-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64502622
1-(3-chlorohexyl)-2-fluorobenzene
CID 63461289
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine?
The IUPAC name of (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine (CID 93424532) is (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine is CN[C@@H](C)CCc1ccccc1F.
What is the InChIKey of (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine?
The InChIKey is MRLBCWSOGFGALZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16FN/c1-9(13-2)7-8-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine?
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine has a molecular weight of 181.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 93424532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).