(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol

C11H17NO2 — CID 67123250

IUPAC(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol
SMILESCNC[C@H](CO)C(O)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-12-7-10(8-13)11(14)9-5-3-2-4-6-9/h2-6,10-14H,7-8H2,1H3/t10-,11?/m1/s1
InChIKeyVCAJSTXKUHNFQE-NFJWQWPMSA-N
MW195.26 g/mol
LogP0.55
Rot. Bonds5

About (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol

(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol (PubChem CID 67123250) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol.

Molecular Properties

Compound Name(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol
PubChem CID67123250
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol
SMILESCNC[C@H](CO)C(O)c1ccccc1
InChIInChI=1S/C11H17NO2/c1-12-7-10(8-13)11(14)9-5-3-2-4-6-9/h2-6,10-14H,7-8H2,1H3/t10-,11?/m1/s1
InChIKeyVCAJSTXKUHNFQE-NFJWQWPMSA-N
XLogP0.55
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-(hydroxymethyl)-1-phenylpentane-1,5-diol
CID 10774811
(1S,2S)-2-(4-bromophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118675731
1-phenyl-2-propylpentan-1-ol
CID 82987900
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
1,2-diphenylethane-1,2-diol
CID 159073808
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
CID 68765069
2-bromo-1-phenylpropane-1,3-diol
CID 21270529
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol?
The IUPAC name of (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol (CID 67123250) is (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol.
What is the SMILES notation for (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol?
The canonical SMILES for (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol is CNC[C@H](CO)C(O)c1ccccc1.
What is the InChIKey of (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol?
The InChIKey is VCAJSTXKUHNFQE-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12-7-10(8-13)11(14)9-5-3-2-4-6-9/h2-6,10-14H,7-8H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol?
(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol has a molecular weight of 195.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol is sourced from PubChem (CID 67123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).