1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol

C16H25NO3 — CID 111858601

IUPAC1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(C)CC(O)C2CC2)cc1
InChIInChI=1S/C16H25NO3/c1-12-3-7-15(8-4-12)20-11-14(18)9-17(2)10-16(19)13-5-6-13/h3-4,7-8,13-14,16,18-19H,5-6,9-11H2,1-2H3
InChIKeyJIHRRGLYQBOFPI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds8

About 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol

1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 111858601) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID111858601
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)CN(C)CC(O)C2CC2)cc1
InChIInChI=1S/C16H25NO3/c1-12-3-7-15(8-4-12)20-11-14(18)9-17(2)10-16(19)13-5-6-13/h3-4,7-8,13-14,16,18-19H,5-6,9-11H2,1-2H3
InChIKeyJIHRRGLYQBOFPI-UHFFFAOYSA-N
XLogP1.44
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 86993421
1-(4-aminophenoxy)-3-[cyclopropylmethyl(methyl)amino]propan-2-ol
CID 54884486
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 18278682
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 78800592
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32530996
4-[2-hydroxy-3-[methyl-[(4-methylphenyl)methyl]amino]propoxy]benzonitrile
CID 51160351
1-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol
CID 111512466

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol (CID 111858601) is 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)CN(C)CC(O)C2CC2)cc1.
What is the InChIKey of 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is JIHRRGLYQBOFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-3-7-15(8-4-12)20-11-14(18)9-17(2)10-16(19)13-5-6-13/h3-4,7-8,13-14,16,18-19H,5-6,9-11H2,1-2H3.
What are the key properties of 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol?
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 111858601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).