1-methoxy-1-(methylamino)-3-phenylpropan-2-ol

C11H17NO2 — CID 155698723

IUPAC1-methoxy-1-(methylamino)-3-phenylpropan-2-ol
SMILESCNC(OC)C(O)Cc1ccccc1
InChIInChI=1S/C11H17NO2/c1-12-11(14-2)10(13)8-9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3
InChIKeyUGLBQUJGBQDNFM-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.78
Rot. Bonds5

About 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol

1-methoxy-1-(methylamino)-3-phenylpropan-2-ol (PubChem CID 155698723) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-methoxy-1-(methylamino)-3-phenylpropan-2-ol
PubChem CID155698723
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-methoxy-1-(methylamino)-3-phenylpropan-2-ol
SMILESCNC(OC)C(O)Cc1ccccc1
InChIInChI=1S/C11H17NO2/c1-12-11(14-2)10(13)8-9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3
InChIKeyUGLBQUJGBQDNFM-UHFFFAOYSA-N
XLogP0.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
3-methoxy-4-phenylbutane-1,2-diol
CID 139743448
methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
CID 19968656
methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
CID 156733135
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(3R,6S)-2,3,6-trihydroxy-7-methoxy-1,8-diphenyloctane-4,5-dione
CID 54250401
methyl (3R,4R)-3-chloro-4-hydroxy-5-phenylpentanoate
CID 134934579
N-methyl-1-phenylpropan-2-amine
CID 118309477
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol?
The IUPAC name of 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol (CID 155698723) is 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol is CNC(OC)C(O)Cc1ccccc1.
What is the InChIKey of 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol?
The InChIKey is UGLBQUJGBQDNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-11(14-2)10(13)8-9-6-4-3-5-7-9/h3-7,10-13H,8H2,1-2H3.
What are the key properties of 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol?
1-methoxy-1-(methylamino)-3-phenylpropan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(methylamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 155698723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).