2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride

C13H22ClNO — CID 117068774

IUPAC2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
SMILESCC(C)NC(C)C(C)(O)c1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-10(2)14-11(3)13(4,15)12-8-6-5-7-9-12;/h5-11,14-15H,1-4H3;1H
InChIKeySGTUIYZHMOJFHW-UHFFFAOYSA-N
MW243.78 g/mol
LogP2.70
Rot. Bonds4

About 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride

2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride (PubChem CID 117068774) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
PubChem CID117068774
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
SMILESCC(C)NC(C)C(C)(O)c1ccccc1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-10(2)14-11(3)13(4,15)12-8-6-5-7-9-12;/h5-11,14-15H,1-4H3;1H
InChIKeySGTUIYZHMOJFHW-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
3-methyl-2-phenylpentan-2-ol
CID 13024634
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
2-hydroperoxypropan-2-ylbenzene;hydrochloride
CID 174888264
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
CID 134960749
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol
CID 88786065
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
CID 102188552
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride?
The IUPAC name of 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride (CID 117068774) is 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride.
What is the SMILES notation for 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride?
The canonical SMILES for 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride is CC(C)NC(C)C(C)(O)c1ccccc1.Cl.
What is the InChIKey of 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride?
The InChIKey is SGTUIYZHMOJFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-10(2)14-11(3)13(4,15)12-8-6-5-7-9-12;/h5-11,14-15H,1-4H3;1H.
What are the key properties of 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride?
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride is sourced from PubChem (CID 117068774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).