(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol

C8H19NO2 — CID 103935012

IUPAC(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCOCC(C)N(C)C[C@H](C)O
InChIInChI=1S/C8H19NO2/c1-7(6-11-4)9(3)5-8(2)10/h7-8,10H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyHEALZTRQRQVPQG-MQWKRIRWSA-N
MW161.25 g/mol
LogP0.33
Rot. Bonds5

About (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol

(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol (PubChem CID 103935012) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
PubChem CID103935012
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
SMILESCOCC(C)N(C)C[C@H](C)O
InChIInChI=1S/C8H19NO2/c1-7(6-11-4)9(3)5-8(2)10/h7-8,10H,5-6H2,1-4H3/t7?,8-/m0/s1
InChIKeyHEALZTRQRQVPQG-MQWKRIRWSA-N
XLogP0.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-3-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 63899392
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
CID 61453428
1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol
CID 22947108
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
1-methoxypropan-2-ol;propane
CID 159966080
1-[[(2S)-1-aminopropan-2-yl]-methylamino]propan-2-ol
CID 130729630
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
2-[1-methoxypropan-2-yl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60971114
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
(2S)-1-methoxy-N-methyl-N-prop-2-enylpropan-2-amine
CID 171624070
1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115752194

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol (CID 103935012) is (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol is COCC(C)N(C)C[C@H](C)O.
What is the InChIKey of (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
The InChIKey is HEALZTRQRQVPQG-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(6-11-4)9(3)5-8(2)10/h7-8,10H,5-6H2,1-4H3/t7?,8-/m0/s1.
What are the key properties of (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol?
(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol has a molecular weight of 161.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol is sourced from PubChem (CID 103935012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).