1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride

C8H20ClNO2 — CID 45265339

IUPAC1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
SMILESCOCC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C8H19NO2.ClH/c1-8(2,3)9-5-7(10)6-11-4;/h7,9-10H,5-6H2,1-4H3;1H
InChIKeyPHMUEMHLAAFQLX-UHFFFAOYSA-N
MW197.71 g/mol
LogP0.80
Rot. Bonds4

About 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride

1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride (PubChem CID 45265339) has the molecular formula C8H20ClNO2 and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
PubChem CID45265339
Molecular FormulaC8H20ClNO2
Molecular Weight197.71 g/mol
Exact Mass197.12
IUPAC Name1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
SMILESCOCC(O)CNC(C)(C)C.Cl
InChIInChI=1S/C8H19NO2.ClH/c1-8(2,3)9-5-7(10)6-11-4;/h7,9-10H,5-6H2,1-4H3;1H
InChIKeyPHMUEMHLAAFQLX-UHFFFAOYSA-N
XLogP0.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
1-(tert-butylamino)-3-(2,3,4,5,6-pentafluorophenoxy)propan-2-ol
CID 115476032
1-[2-(1-adamantyl)ethoxy]-3-(tert-butylamino)propan-2-ol;hydrochloride
CID 2834353
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
CID 110181826
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride (CID 45265339) is 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride is COCC(O)CNC(C)(C)C.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride?
The InChIKey is PHMUEMHLAAFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.ClH/c1-8(2,3)9-5-7(10)6-11-4;/h7,9-10H,5-6H2,1-4H3;1H.
What are the key properties of 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride?
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 45265339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).