2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol

C12H19NO3 — CID 121015626

IUPAC2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
SMILESCNC(CO)(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C12H19NO3/c1-13-12(8-14,9-15)7-10-3-5-11(16-2)6-4-10/h3-6,13-15H,7-9H2,1-2H3
InChIKeyQVVUFWCKNXVDBY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.18
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol

2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol (PubChem CID 121015626) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
PubChem CID121015626
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
SMILESCNC(CO)(CO)Cc1ccc(OC)cc1
InChIInChI=1S/C12H19NO3/c1-13-12(8-14,9-15)7-10-3-5-11(16-2)6-4-10/h3-6,13-15H,7-9H2,1-2H3
InChIKeyQVVUFWCKNXVDBY-UHFFFAOYSA-N
XLogP0.18
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
(4-methoxyphenyl)methanol
CID 7738
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
(2S)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1,2-diol
CID 70597929
[(2S)-1-hydroxy-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutan-2-yl]carbamic acid
CID 69102654
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 63271193
1-(tert-butylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270750
3,3-difluoro-4-(4-methoxyphenyl)-N-methylbutan-2-amine
CID 105486503
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol (CID 121015626) is 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol is CNC(CO)(CO)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol?
The InChIKey is QVVUFWCKNXVDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13-12(8-14,9-15)7-10-3-5-11(16-2)6-4-10/h3-6,13-15H,7-9H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol?
2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol has a molecular weight of 225.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol is sourced from PubChem (CID 121015626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).