(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol

C15H25NO — CID 921494

IUPAC(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
SMILESCC[C@@H](CN(CC)CC)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(12-16(5-2)6-3)15(17)14-10-8-7-9-11-14/h7-11,13,15,17H,4-6,12H2,1-3H3/t13-,15+/m0/s1
InChIKeyXRGPZLXXKGVDHA-DZGCQCFKSA-N
MW235.37 g/mol
LogP3.09
Rot. Bonds7

About (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol

(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol (PubChem CID 921494) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
PubChem CID921494
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol
SMILESCC[C@@H](CN(CC)CC)[C@@H](O)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(12-16(5-2)6-3)15(17)14-10-8-7-9-11-14/h7-11,13,15,17H,4-6,12H2,1-3H3/t13-,15+/m0/s1
InChIKeyXRGPZLXXKGVDHA-DZGCQCFKSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(2-ethylbutyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617124
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
diethyl-[(2S)-2-[(R)-hydroxy(phenyl)methyl]butyl]azanium
CID 6954543
1-phenyl-2-propylpentan-1-ol
CID 82987900
4-ethyl-3-phenylhexan-2-ol
CID 135184809
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(2R)-1-benzhydryloxy-3-(diethylamino)propan-2-ol
CID 2327359
(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
CID 39869601
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol?
The IUPAC name of (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol (CID 921494) is (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol.
What is the SMILES notation for (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol?
The canonical SMILES for (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol is CC[C@@H](CN(CC)CC)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol?
The InChIKey is XRGPZLXXKGVDHA-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13(12-16(5-2)6-3)15(17)14-10-8-7-9-11-14/h7-11,13,15,17H,4-6,12H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol?
(1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(diethylaminomethyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 921494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).