(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol

C19H25NO4 — CID 40840949

IUPAC(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C19H25NO4/c1-23-18-9-5-6-10-19(18)24-15-17(22)14-20(11-12-21)13-16-7-3-2-4-8-16/h2-10,17,21-22H,11-15H2,1H3/t17-/m0/s1
InChIKeyIBRZPEGSDQRZBS-KRWDZBQOSA-N
MW331.41 g/mol
LogP1.93
Rot. Bonds10

About (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol

(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 40840949) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID40840949
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C19H25NO4/c1-23-18-9-5-6-10-19(18)24-15-17(22)14-20(11-12-21)13-16-7-3-2-4-8-16/h2-10,17,21-22H,11-15H2,1H3/t17-/m0/s1
InChIKeyIBRZPEGSDQRZBS-KRWDZBQOSA-N
XLogP1.93
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-3-[benzyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2577019
1-[4-[3-[benzyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 4834526
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol
CID 30050572
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol chloride
CID 21237867
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155
1-[benzyl(2-hydroxyethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 2770333
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butyl-4-methylphenoxy)propan-2-ol
CID 34887004
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol (CID 40840949) is (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1.
What is the InChIKey of (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is IBRZPEGSDQRZBS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO4/c1-23-18-9-5-6-10-19(18)24-15-17(22)14-20(11-12-21)13-16-7-3-2-4-8-16/h2-10,17,21-22H,11-15H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol?
(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 331.41 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 40840949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).