1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol

C16H23N3O2 — CID 63000890

IUPAC1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCc1nccn1C)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(14-6-4-3-5-7-14)21-12-15(20)10-17-11-16-18-8-9-19(16)2/h3-9,13,15,17,20H,10-12H2,1-2H3
InChIKeyYPNLEDZWQRLIHZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds8

About 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol

1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 63000890) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID63000890
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCc1nccn1C)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(14-6-4-3-5-7-14)21-12-15(20)10-17-11-16-18-8-9-19(16)2/h3-9,13,15,17,20H,10-12H2,1-2H3
InChIKeyYPNLEDZWQRLIHZ-UHFFFAOYSA-N
XLogP1.65
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
(2S)-2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79249364

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol (CID 63000890) is 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNCc1nccn1C)c1ccccc1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is YPNLEDZWQRLIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(14-6-4-3-5-7-14)21-12-15(20)10-17-11-16-18-8-9-19(16)2/h3-9,13,15,17,20H,10-12H2,1-2H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol?
1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 63000890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).