1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol

C19H25NO2 — CID 117068437

IUPAC1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
SMILESCc1cccc(OCC(O)CN(C)CCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-16-7-6-10-19(13-16)22-15-18(21)14-20(2)12-11-17-8-4-3-5-9-17/h3-10,13,18,21H,11-12,14-15H2,1-2H3
InChIKeyCVZJNEOLZPGNGH-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.91
Rot. Bonds8

About 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol

1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol (PubChem CID 117068437) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
PubChem CID117068437
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
SMILESCc1cccc(OCC(O)CN(C)CCc2ccccc2)c1
InChIInChI=1S/C19H25NO2/c1-16-7-6-10-19(13-16)22-15-18(21)14-20(2)12-11-17-8-4-3-5-9-17/h3-10,13,18,21H,11-12,14-15H2,1-2H3
InChIKeyCVZJNEOLZPGNGH-UHFFFAOYSA-N
XLogP2.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
(2S)-1-[benzyl(propan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125487705
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78820677
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 110936166
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124
(1R)-2-[methyl-[2-(3-methylphenyl)ethyl]amino]-1-phenylethanol
CID 28635005
1-(3-methylphenoxy)butan-2-ol
CID 13089920

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol (CID 117068437) is 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol is Cc1cccc(OCC(O)CN(C)CCc2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
The InChIKey is CVZJNEOLZPGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-16-7-6-10-19(13-16)22-15-18(21)14-20(2)12-11-17-8-4-3-5-9-17/h3-10,13,18,21H,11-12,14-15H2,1-2H3.
What are the key properties of 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol?
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol is sourced from PubChem (CID 117068437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).