2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol

C13H21NO3 — CID 103464543

IUPAC2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
SMILESCOCC(NC(C)(CO)CO)c1ccccc1
InChIInChI=1S/C13H21NO3/c1-13(9-15,10-16)14-12(8-17-2)11-6-4-3-5-7-11/h3-7,12,14-16H,8-10H2,1-2H3
InChIKeyCIILQPPVTVAUQG-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.71
Rot. Bonds7

About 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol

2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol (PubChem CID 103464543) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
PubChem CID103464543
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
SMILESCOCC(NC(C)(CO)CO)c1ccccc1
InChIInChI=1S/C13H21NO3/c1-13(9-15,10-16)14-12(8-17-2)11-6-4-3-5-7-11/h3-7,12,14-16H,8-10H2,1-2H3
InChIKeyCIILQPPVTVAUQG-UHFFFAOYSA-N
XLogP0.71
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol
CID 175082218
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-[(1S)-2-methoxy-1-phenylethyl]prop-1-en-2-amine
CID 89012748
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
N-(2-methoxy-1-phenylethyl)-2,2-dimethylbutan-1-amine
CID 103464764
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
[4-[[(2-methoxy-1-phenylethyl)amino]methyl]phenyl]methanol
CID 103947386
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
1-N-(2-methoxy-1-phenylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 103463479
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol (CID 103464543) is 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol is COCC(NC(C)(CO)CO)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol?
The InChIKey is CIILQPPVTVAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(9-15,10-16)14-12(8-17-2)11-6-4-3-5-7-11/h3-7,12,14-16H,8-10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol?
2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol has a molecular weight of 239.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 103464543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).