1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol

C16H23N3O2 — CID 61479372

IUPAC1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC(C)Cn2ccnc2)c1
InChIInChI=1S/C16H23N3O2/c1-13-4-3-5-16(8-13)21-11-15(20)9-18-14(2)10-19-7-6-17-12-19/h3-8,12,14-15,18,20H,9-11H2,1-2H3
InChIKeyNXBVZUQMJZVZJA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.61
Rot. Bonds8

About 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol

1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 61479372) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
PubChem CID61479372
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CNC(C)Cn2ccnc2)c1
InChIInChI=1S/C16H23N3O2/c1-13-4-3-5-16(8-13)21-11-15(20)9-18-14(2)10-19-7-6-17-12-19/h3-8,12,14-15,18,20H,9-11H2,1-2H3
InChIKeyNXBVZUQMJZVZJA-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
2-(1-imidazol-1-ylpropan-2-ylamino)-1-(3-methoxyphenyl)ethanol
CID 81133447
1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-(3-imidazol-1-ylpropyl)-1-propan-2-ylurea
CID 95784042
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(3,5-dimethylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 25421946
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol (CID 61479372) is 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CNC(C)Cn2ccnc2)c1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is NXBVZUQMJZVZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-4-3-5-16(8-13)21-11-15(20)9-18-14(2)10-19-7-6-17-12-19/h3-8,12,14-15,18,20H,9-11H2,1-2H3.
What are the key properties of 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol?
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 61479372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).