2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride

C18H23ClN2O2 — CID 21451077

IUPAC2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride
SMILESCCC(O)(c1ccccc1)C(N)C(N)C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-18(22,14-11-7-4-8-12-14)17(20)15(19)16(21)13-9-5-3-6-10-13;/h3-12,15,17,22H,2,19-20H2,1H3;1H
InChIKeySPZUXXZDZWMXMF-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.24
Rot. Bonds6

About 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride

2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride (PubChem CID 21451077) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride
PubChem CID21451077
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride
SMILESCCC(O)(c1ccccc1)C(N)C(N)C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-18(22,14-11-7-4-8-12-14)17(20)15(19)16(21)13-9-5-3-6-10-13;/h3-12,15,17,22H,2,19-20H2,1H3;1H
InChIKeySPZUXXZDZWMXMF-UHFFFAOYSA-N
XLogP2.24
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
2,3-diamino-4-oxo-4-phenylbutanoic acid
CID 172863570
(4-hydroxy-4-phenylhexan-3-yl)carbamic acid
CID 20975817
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
(2S,3R)-2-amino-3,4-dihydroxy-1-phenylbutan-1-one
CID 99867992
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
CID 99867988
2,4-diamino-3-hydroxy-1-phenylbutan-1-one;platinum
CID 174439836
benzoic acid;1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol;dihydrate;hydrochloride
CID 20833886

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride?
The IUPAC name of 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride (CID 21451077) is 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride.
What is the SMILES notation for 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride?
The canonical SMILES for 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride is CCC(O)(c1ccccc1)C(N)C(N)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride?
The InChIKey is SPZUXXZDZWMXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-2-18(22,14-11-7-4-8-12-14)17(20)15(19)16(21)13-9-5-3-6-10-13;/h3-12,15,17,22H,2,19-20H2,1H3;1H.
What are the key properties of 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride?
2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4-hydroxy-1,4-diphenylhexan-1-one;hydrochloride is sourced from PubChem (CID 21451077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).