(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol

C11H17NO3 — CID 95441222

IUPAC(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](CN)CO)cc1OC
InChIInChI=1S/C11H17NO3/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3/t9-/m1/s1
InChIKeyLLTMJMRLIPCICJ-SECBINFHSA-N
MW211.26 g/mol
LogP0.74
Rot. Bonds5

About (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol

(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 95441222) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
PubChem CID95441222
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](CN)CO)cc1OC
InChIInChI=1S/C11H17NO3/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3/t9-/m1/s1
InChIKeyLLTMJMRLIPCICJ-SECBINFHSA-N
XLogP0.74
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107707
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441
tert-butyl (4S)-5-amino-4-(3,4-dimethoxyphenyl)pentanoate
CID 59914280
3-(cyclohexylmethylamino)-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 154247141
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
CID 83926083

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol (CID 95441222) is (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol is COc1ccc([C@H](CN)CO)cc1OC.
What is the InChIKey of (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is LLTMJMRLIPCICJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-5,9,13H,6-7,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol?
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 95441222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).