(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol

C7H17NO2 — CID 130685651

IUPAC(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
SMILESCOC[C@H](CO)NC(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)8-7(4-9)5-10-3/h6-9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyYZHCNDHXFBQSEQ-ZETCQYMHSA-N
MW147.22 g/mol
LogP-0.01
Rot. Bonds5

About (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol

(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol (PubChem CID 130685651) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
PubChem CID130685651
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
SMILESCOC[C@H](CO)NC(C)C
InChIInChI=1S/C7H17NO2/c1-6(2)8-7(4-9)5-10-3/h6-9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyYZHCNDHXFBQSEQ-ZETCQYMHSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxy-N-propan-2-ylpropan-2-amine
CID 134479894
1-fluoro-3-methoxy-N-propan-2-ylpropan-2-amine
CID 83815311
3-(2-methylpropoxy)-2-(propan-2-ylamino)propan-1-ol
CID 15004701
methyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoate
CID 106187566
1-methoxy-N-propan-2-yl-3-propan-2-yloxypropan-2-amine
CID 176738285
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-methylpropanamide
CID 106190418
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106190646
N'-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanimidamide
CID 106189728
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]butanoic acid
CID 106187891
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 106206822
2-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82793573

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol (CID 130685651) is (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol is COC[C@H](CO)NC(C)C.
What is the InChIKey of (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is YZHCNDHXFBQSEQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(2)8-7(4-9)5-10-3/h6-9H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol?
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 147.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 130685651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).