(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol

C18H23NO3 — CID 171270282

IUPAC(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
SMILESCCOc1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO3/c1-3-22-16-10-9-14(12-17(16)21-2)18(19)15(20)11-13-7-5-4-6-8-13/h4-10,12,15,18,20H,3,11,19H2,1-2H3/t15-,18+/m1/s1
InChIKeyVMZGWYVXAQHQOJ-QAPCUYQASA-N
MW301.39 g/mol
LogP2.70
Rot. Bonds7

About (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol

(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol (PubChem CID 171270282) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
PubChem CID171270282
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol
SMILESCCOc1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO3/c1-3-22-16-10-9-14(12-17(16)21-2)18(19)15(20)11-13-7-5-4-6-8-13/h4-10,12,15,18,20H,3,11,19H2,1-2H3/t15-,18+/m1/s1
InChIKeyVMZGWYVXAQHQOJ-QAPCUYQASA-N
XLogP2.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264606
4-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171268979
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-phenylpropan-2-ol
CID 171262949
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
(1R,2S)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260969
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
4-(1-bromo-2-phenylethyl)-1,2-diethoxybenzene
CID 63442286
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol (CID 171270282) is (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol is CCOc1ccc([C@H](N)[C@H](O)Cc2ccccc2)cc1OC.
What is the InChIKey of (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol?
The InChIKey is VMZGWYVXAQHQOJ-QAPCUYQASA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-22-16-10-9-14(12-17(16)21-2)18(19)15(20)11-13-7-5-4-6-8-13/h4-10,12,15,18,20H,3,11,19H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol?
(1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-3-phenylpropan-2-ol is sourced from PubChem (CID 171270282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).