2-amino-1-phenylheptan-3-one;hydrochloride

C13H20ClNO — CID 142731464

IUPAC2-amino-1-phenylheptan-3-one;hydrochloride
SMILESCCCCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-3-9-13(15)12(14)10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10,14H2,1H3;1H
InChIKeyHLKDEJMFJQQWMY-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-1-phenylheptan-3-one;hydrochloride

2-amino-1-phenylheptan-3-one;hydrochloride (PubChem CID 142731464) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-amino-1-phenylheptan-3-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-phenylheptan-3-one;hydrochloride
PubChem CID142731464
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-amino-1-phenylheptan-3-one;hydrochloride
SMILESCCCCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-3-9-13(15)12(14)10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10,14H2,1H3;1H
InChIKeyHLKDEJMFJQQWMY-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
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2-amino-5-ethoxy-1-phenylpentan-3-one
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(2S,7S)-7-amino-2-benzyl-6-oxo-8-phenyloctanoic acid
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ethyl 2-amino-3-phenylpropanoate;dihydrochloride
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butyl (2S)-2-amino-3-phenylpropanoate
CID 11402655
2-amino-N-decyl-3-phenylpropanamide
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(2S)-2-amino-3-phenylpropanoic acid;decanoic acid
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2-amino-3-phenylpropanoic acid;1-chlorobutane
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(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
3-amino-1,4-diphenylbutan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylheptan-3-one;hydrochloride?
The IUPAC name of 2-amino-1-phenylheptan-3-one;hydrochloride (CID 142731464) is 2-amino-1-phenylheptan-3-one;hydrochloride.
What is the SMILES notation for 2-amino-1-phenylheptan-3-one;hydrochloride?
The canonical SMILES for 2-amino-1-phenylheptan-3-one;hydrochloride is CCCCC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-1-phenylheptan-3-one;hydrochloride?
The InChIKey is HLKDEJMFJQQWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-3-9-13(15)12(14)10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10,14H2,1H3;1H.
What are the key properties of 2-amino-1-phenylheptan-3-one;hydrochloride?
2-amino-1-phenylheptan-3-one;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylheptan-3-one;hydrochloride is sourced from PubChem (CID 142731464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).