(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol

C15H25NO2 — CID 171261737

IUPAC(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
SMILESCCOc1ccccc1[C@@H](N)[C@@H](O)CCC(C)C
InChIInChI=1S/C15H25NO2/c1-4-18-14-8-6-5-7-12(14)15(16)13(17)10-9-11(2)3/h5-8,11,13,15,17H,4,9-10,16H2,1-3H3/t13-,15+/m0/s1
InChIKeyYQQGBPMLBBIPOD-DZGCQCFKSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds7

About (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol

(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol (PubChem CID 171261737) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
PubChem CID171261737
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
SMILESCCOc1ccccc1[C@@H](N)[C@@H](O)CCC(C)C
InChIInChI=1S/C15H25NO2/c1-4-18-14-8-6-5-7-12(14)15(16)13(17)10-9-11(2)3/h5-8,11,13,15,17H,4,9-10,16H2,1-3H3/t13-,15+/m0/s1
InChIKeyYQQGBPMLBBIPOD-DZGCQCFKSA-N
XLogP2.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-5-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263629
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
(1R,2S)-1-amino-1-(2-iodophenyl)-5-methylhexan-2-ol
CID 171264246
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
2-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]benzonitrile
CID 171261657
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
(1R,2S)-1-amino-1-(4-ethoxy-3-methoxyphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264606
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol (CID 171261737) is (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol is CCOc1ccccc1[C@@H](N)[C@@H](O)CCC(C)C.
What is the InChIKey of (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol?
The InChIKey is YQQGBPMLBBIPOD-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-18-14-8-6-5-7-12(14)15(16)13(17)10-9-11(2)3/h5-8,11,13,15,17H,4,9-10,16H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol?
(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol is sourced from PubChem (CID 171261737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).