2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine

C19H27N3O — CID 56879064

IUPAC2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1ccnc1CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H27N3O/c1-16(2)22-11-10-20-19(22)15-21-12-13-23-18(14-21)9-8-17-6-4-3-5-7-17/h3-7,10-11,16,18H,8-9,12-15H2,1-2H3
InChIKeyZVOCBVAOECZWOO-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.30
Rot. Bonds6

About 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine

2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine (PubChem CID 56879064) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
PubChem CID56879064
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1ccnc1CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H27N3O/c1-16(2)22-11-10-20-19(22)15-21-12-13-23-18(14-21)9-8-17-6-4-3-5-7-17/h3-7,10-11,16,18H,8-9,12-15H2,1-2H3
InChIKeyZVOCBVAOECZWOO-UHFFFAOYSA-N
XLogP3.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine (CID 56879064) is 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine is CC(C)n1ccnc1CN1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The InChIKey is ZVOCBVAOECZWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16(2)22-11-10-20-19(22)15-21-12-13-23-18(14-21)9-8-17-6-4-3-5-7-17/h3-7,10-11,16,18H,8-9,12-15H2,1-2H3.
What are the key properties of 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine?
2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine has a molecular weight of 313.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 56879064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).