(1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol

C13H21NO — CID 11356230

IUPAC(1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol
SMILESCCN(CC)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11,13,15H,4-5H2,1-3H3/t11-,13-/m0/s1
InChIKeyJMFCQRKXGIHOAN-AAEUAGOBSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds5

About (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol

(1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol (PubChem CID 11356230) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol
PubChem CID11356230
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol
SMILESCCN(CC)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11,13,15H,4-5H2,1-3H3/t11-,13-/m0/s1
InChIKeyJMFCQRKXGIHOAN-AAEUAGOBSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Phendimetrazine
CID 30487
Ephedrine Hydrochloride
CID 65326
Cathine
CID 441457
Phenylethanolamine
CID 1000
Pseudoephedrine Hydrochloride
CID 9581
Phenylpropanolamine Hydrochloride
CID 62943
N-Methylephedrine
CID 4374
DL-Ephedrine
CID 5032
Methylephedrine
CID 64782

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol (CID 11356230) is (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol is CCN(CC)[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol?
The InChIKey is JMFCQRKXGIHOAN-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11,13,15H,4-5H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol?
(1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(diethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 11356230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).