[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine

C12H16Cl2N2O — CID 10171585

IUPAC[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C12H16Cl2N2O/c13-11-2-1-9(5-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2/t10-/m0/s1
InChIKeyUANWWXRZQGYWSR-JTQLQIEISA-N
MW275.18 g/mol
LogP2.15
Rot. Bonds3

About [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine

[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 10171585) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
PubChem CID10171585
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
SMILESNC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C12H16Cl2N2O/c13-11-2-1-9(5-12(11)14)7-16-3-4-17-10(6-15)8-16/h1-2,5,10H,3-4,6-8,15H2/t10-/m0/s1
InChIKeyUANWWXRZQGYWSR-JTQLQIEISA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine (CID 10171585) is [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine is NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is UANWWXRZQGYWSR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-11-2-1-9(5-12(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-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine?
[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 275.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 10171585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).