(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol

C12H20N2O — CID 39869601

IUPAC(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)C[C@H](CN)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,8-9,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyCJOOTINYVCEDFO-RYUDHWBXSA-N
MW208.31 g/mol
LogP0.86
Rot. Bonds5

About (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol

(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol (PubChem CID 39869601) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID39869601
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
SMILESCN(C)C[C@H](CN)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H20N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,8-9,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyCJOOTINYVCEDFO-RYUDHWBXSA-N
XLogP0.86
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-amino-3-(dimethylamino)-1-phenylpropan-1-ol
CID 58420104
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
(1R,2S)-2-[(dimethylamino)methyl]-3-(4-methoxyphenyl)-1-phenylpropan-1-ol
CID 125467735
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
CID 21410
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
CID 921494
1-phenyl-2-propylpentan-1-ol
CID 82987900
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
2-amino-1-phenylethanol;ethane
CID 91425169
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
1,2-diphenylethane-1,2-diol
CID 159073808
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 42959034

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol (CID 39869601) is (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol is CN(C)C[C@H](CN)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
The InChIKey is CJOOTINYVCEDFO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,11-12,15H,8-9,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol?
(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 39869601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).