[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine

C12H16ClFN2O — CID 10106593

IUPAC[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNC[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C12H16ClFN2O/c13-11-5-9(1-2-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2/t10-/m0/s1
InChIKeyRJZVRFKRQNMJJC-JTQLQIEISA-N
MW258.72 g/mol
LogP1.64
Rot. Bonds3

About [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine

[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 10106593) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine
PubChem CID10106593
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNC[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C12H16ClFN2O/c13-11-5-9(1-2-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2/t10-/m0/s1
InChIKeyRJZVRFKRQNMJJC-JTQLQIEISA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine (CID 10106593) is [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine is NC[C@H]1CN(Cc2ccc(F)c(Cl)c2)CCO1.
What is the InChIKey of [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is RJZVRFKRQNMJJC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-11-5-9(1-2-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2/t10-/m0/s1.
What are the key properties of [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine?
[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 258.72 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 10106593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).