1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

C19H28N4O — CID 124689981

IUPAC1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESC[C@@H]1CN(Cc2ccccc2CNCc2cncn2C)C[C@@H](C)O1
InChIInChI=1S/C19H28N4O/c1-15-11-23(12-16(2)24-15)13-18-7-5-4-6-17(18)8-20-9-19-10-21-14-22(19)3/h4-7,10,14-16,20H,8-9,11-13H2,1-3H3/t15-,16-/m1/s1
InChIKeySKACDPUWQUBFSE-HZPDHXFCSA-N
MW328.46 g/mol
LogP2.32
Rot. Bonds6

About 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 124689981) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID124689981
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESC[C@@H]1CN(Cc2ccccc2CNCc2cncn2C)C[C@@H](C)O1
InChIInChI=1S/C19H28N4O/c1-15-11-23(12-16(2)24-15)13-18-7-5-4-6-17(18)8-20-9-19-10-21-14-22(19)3/h4-7,10,14-16,20H,8-9,11-13H2,1-3H3/t15-,16-/m1/s1
InChIKeySKACDPUWQUBFSE-HZPDHXFCSA-N
XLogP2.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 124689981) is 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is C[C@@H]1CN(Cc2ccccc2CNCc2cncn2C)C[C@@H](C)O1.
What is the InChIKey of 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is SKACDPUWQUBFSE-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-11-23(12-16(2)24-15)13-18-7-5-4-6-17(18)8-20-9-19-10-21-14-22(19)3/h4-7,10,14-16,20H,8-9,11-13H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 328.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 124689981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).