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

C18H23NO4 — CID 171214375

IUPAC(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CCO)cc1OC
InChIInChI=1S/C18H23NO4/c1-21-17-10-14(15(19)8-9-20)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11,15,20H,8-9,12,19H2,1-2H3/t15-/m1/s1
InChIKeyAYNBDBYLELMTDV-OAHLLOKOSA-N
MW317.39 g/mol
LogP2.66
Rot. Bonds8

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

(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol (PubChem CID 171214375) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
PubChem CID171214375
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
SMILESCOc1cc(OCc2ccccc2)c([C@H](N)CCO)cc1OC
InChIInChI=1S/C18H23NO4/c1-21-17-10-14(15(19)8-9-20)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11,15,20H,8-9,12,19H2,1-2H3/t15-/m1/s1
InChIKeyAYNBDBYLELMTDV-OAHLLOKOSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
CID 171265334
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
CID 171260650
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345
(1S)-2-cyclopropyl-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171233973
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol (CID 171214375) is (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol is COc1cc(OCc2ccccc2)c([C@H](N)CCO)cc1OC.
What is the InChIKey of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is AYNBDBYLELMTDV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO4/c1-21-17-10-14(15(19)8-9-20)16(11-18(17)22-2)23-12-13-6-4-3-5-7-13/h3-7,10-11,15,20H,8-9,12,19H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol?
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 317.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 171214375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).