(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol

C14H22N2O3 — CID 66516038

IUPAC(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
SMILESCOc1cc(N2CCCC2)c(OC)cc1[C@@H](N)CO
InChIInChI=1S/C14H22N2O3/c1-18-13-8-12(16-5-3-4-6-16)14(19-2)7-10(13)11(15)9-17/h7-8,11,17H,3-6,9,15H2,1-2H3/t11-/m0/s1
InChIKeyRMQMNMREWMXSDA-NSHDSACASA-N
MW266.34 g/mol
LogP1.30
Rot. Bonds5

About (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol

(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol (PubChem CID 66516038) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
PubChem CID66516038
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
SMILESCOc1cc(N2CCCC2)c(OC)cc1[C@@H](N)CO
InChIInChI=1S/C14H22N2O3/c1-18-13-8-12(16-5-3-4-6-16)14(19-2)7-10(13)11(15)9-17/h7-8,11,17H,3-6,9,15H2,1-2H3/t11-/m0/s1
InChIKeyRMQMNMREWMXSDA-NSHDSACASA-N
XLogP1.30
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
CID 66513276
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propanoic acid
CID 117473385
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol (CID 66516038) is (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol is COc1cc(N2CCCC2)c(OC)cc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
The InChIKey is RMQMNMREWMXSDA-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-13-8-12(16-5-3-4-6-16)14(19-2)7-10(13)11(15)9-17/h7-8,11,17H,3-6,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol?
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol is sourced from PubChem (CID 66516038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).