(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol

C16H27NO2 — CID 58837038

IUPAC(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
SMILESCN(CC[C@@H](O)COC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)19-13-15(18)10-11-17(4)12-14-8-6-5-7-9-14/h5-9,15,18H,10-13H2,1-4H3/t15-/m1/s1
InChIKeyQTCLVCSXZXIBPE-OAHLLOKOSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds7

About (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol

(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol (PubChem CID 58837038) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
PubChem CID58837038
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
SMILESCN(CC[C@@H](O)COC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H27NO2/c1-16(2,3)19-13-15(18)10-11-17(4)12-14-8-6-5-7-9-14/h5-9,15,18H,10-13H2,1-4H3/t15-/m1/s1
InChIKeyQTCLVCSXZXIBPE-OAHLLOKOSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate
CID 141144615
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
2-[2-[benzyl(methyl)amino]ethyl]-3,3-dimethylbutanoic acid
CID 90411500
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125
1-[(2-methylpropan-2-yl)oxy]-3-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 110898600
(2S)-1-[benzyl-[(2-methoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164224
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674
1-[benzyl(methyl)amino]-3-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 110929932
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110903446
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The IUPAC name of (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol (CID 58837038) is (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol.
What is the SMILES notation for (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The canonical SMILES for (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol is CN(CC[C@@H](O)COC(C)(C)C)Cc1ccccc1.
What is the InChIKey of (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
The InChIKey is QTCLVCSXZXIBPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2,3)19-13-15(18)10-11-17(4)12-14-8-6-5-7-9-14/h5-9,15,18H,10-13H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol?
(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol is sourced from PubChem (CID 58837038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).