(3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine

C11H14FN — CID 166847440

IUPAC(3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine
SMILES[H]/N=C(\C)[C@H](C)c1cc(C)cc(F)c1
InChIInChI=1S/C11H14FN/c1-7-4-10(6-11(12)5-7)8(2)9(3)13/h4-6,8,13H,1-3H3/b13-9+/t8-/m0/s1
InChIKeyNVSJQDCAIZNLOJ-AXPYHWFSSA-N
MW179.24 g/mol
LogP3.28
Rot. Bonds2

About (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine

(3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine (PubChem CID 166847440) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine.

Molecular Properties

Compound Name(3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine
PubChem CID166847440
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine
SMILES[H]/N=C(\C)[C@H](C)c1cc(C)cc(F)c1
InChIInChI=1S/C11H14FN/c1-7-4-10(6-11(12)5-7)8(2)9(3)13/h4-6,8,13H,1-3H3/b13-9+/t8-/m0/s1
InChIKeyNVSJQDCAIZNLOJ-AXPYHWFSSA-N
XLogP3.28
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine?
The IUPAC name of (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine (CID 166847440) is (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine.
What is the SMILES notation for (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine?
The canonical SMILES for (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine is [H]/N=C(\C)[C@H](C)c1cc(C)cc(F)c1.
What is the InChIKey of (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine?
The InChIKey is NVSJQDCAIZNLOJ-AXPYHWFSSA-N. The full InChI is InChI=1S/C11H14FN/c1-7-4-10(6-11(12)5-7)8(2)9(3)13/h4-6,8,13H,1-3H3/b13-9+/t8-/m0/s1.
What are the key properties of (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine?
(3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine has a molecular weight of 179.24 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluoro-5-methylphenyl)butan-2-imine is sourced from PubChem (CID 166847440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).