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

C15H24ClNO — CID 3073893

IUPAC2-amino-1-phenylnonan-3-one;hydrochloride
SMILESCCCCCCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-4-8-11-15(17)14(16)12-13-9-6-5-7-10-13;/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3;1H
InChIKeyXEJQRIRVWJTGNK-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.52
Rot. Bonds8

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

2-amino-1-phenylnonan-3-one;hydrochloride (PubChem CID 3073893) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-amino-1-phenylnonan-3-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-phenylnonan-3-one;hydrochloride
PubChem CID3073893
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-amino-1-phenylnonan-3-one;hydrochloride
SMILESCCCCCCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C15H23NO.ClH/c1-2-3-4-8-11-15(17)14(16)12-13-9-6-5-7-10-13;/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3;1H
InChIKeyXEJQRIRVWJTGNK-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cathinone
CID 62258
Monomethylpropion
CID 1576
Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
Cathinone hydrochloride
CID 11956149
Phenylalanine amide
CID 445694
Buphedrone
CID 53249194
Pentedrone
CID 57501499
(-)-alpha-Amino-propiophenone
CID 107786
Phenacylamine
CID 11952
n-(3-Oxo-1-phenylbutan-2-yl)acetamide
CID 227936
2-Amino-1-phenylpropan-1-one;hydrochloride
CID 204630
N-Ethylhexedrone
CID 134822125

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylnonan-3-one;hydrochloride?
The IUPAC name of 2-amino-1-phenylnonan-3-one;hydrochloride (CID 3073893) is 2-amino-1-phenylnonan-3-one;hydrochloride.
What is the SMILES notation for 2-amino-1-phenylnonan-3-one;hydrochloride?
The canonical SMILES for 2-amino-1-phenylnonan-3-one;hydrochloride is CCCCCCC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-1-phenylnonan-3-one;hydrochloride?
The InChIKey is XEJQRIRVWJTGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-2-3-4-8-11-15(17)14(16)12-13-9-6-5-7-10-13;/h5-7,9-10,14H,2-4,8,11-12,16H2,1H3;1H.
What are the key properties of 2-amino-1-phenylnonan-3-one;hydrochloride?
2-amino-1-phenylnonan-3-one;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylnonan-3-one;hydrochloride is sourced from PubChem (CID 3073893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).