(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine

C11H15ClFN — CID 914011

IUPAC(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8,14H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyJDYILQXGOTUZQF-MRVPVSSYSA-N
MW215.70 g/mol
LogP3.37
Rot. Bonds4

About (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine

(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine (PubChem CID 914011) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
PubChem CID914011
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8,14H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyJDYILQXGOTUZQF-MRVPVSSYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432724
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
CID 64504471

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine (CID 914011) is (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine is CC[C@@H](C)NCc1c(F)cccc1Cl.
What is the InChIKey of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine?
The InChIKey is JDYILQXGOTUZQF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-8(2)14-7-9-10(12)5-4-6-11(9)13/h4-6,8,14H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine?
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine has a molecular weight of 215.70 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 914011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).