2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol

C18H23NO4 — CID 170892300

IUPAC2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
SMILESCOc1cc(CC(N)CO)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO4/c1-21-17-9-14(8-15(19)11-20)16(10-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,9-10,15,20H,8,11-12,19H2,1-2H3
InChIKeyZOXWRRMCAQZYON-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.14
Rot. Bonds8

About 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol

2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol (PubChem CID 170892300) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
PubChem CID170892300
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
SMILESCOc1cc(CC(N)CO)c(OCc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO4/c1-21-17-9-14(8-15(19)11-20)16(10-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,9-10,15,20H,8,11-12,19H2,1-2H3
InChIKeyZOXWRRMCAQZYON-UHFFFAOYSA-N
XLogP2.14
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
2-amino-3-[2,3-bis(phenylmethoxy)phenyl]propan-1-ol
CID 170856943
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
2-amino-3-[3,4-bis(phenylmethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893088
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61077725
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
1-(2,2-dimethoxyethyl)-2-iodo-5-methoxy-4-phenylmethoxybenzene
CID 15240745
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol (CID 170892300) is 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol is COc1cc(CC(N)CO)c(OCc2ccccc2)cc1OC.
What is the InChIKey of 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is ZOXWRRMCAQZYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-17-9-14(8-15(19)11-20)16(10-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,9-10,15,20H,8,11-12,19H2,1-2H3.
What are the key properties of 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 317.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 170892300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).