1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride

C14H22ClNO — CID 172694063

IUPAC1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
SMILESCCC(=O)C(C)C(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-5-13(16)11(2)14(15(3)4)12-9-7-6-8-10-12;/h6-11,14H,5H2,1-4H3;1H
InChIKeyCBTBCTCLHCDEHQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.33
Rot. Bonds5

About 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride

1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride (PubChem CID 172694063) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
PubChem CID172694063
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
SMILESCCC(=O)C(C)C(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-5-13(16)11(2)14(15(3)4)12-9-7-6-8-10-12;/h6-11,14H,5H2,1-4H3;1H
InChIKeyCBTBCTCLHCDEHQ-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
CID 71241359
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
1-fluoro-1-phenylbutan-2-one
CID 90470836
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
CID 65061408
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
3-(4-bromophenyl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908037
N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 67414377
[1-(dimethylamino)-1-phenylpentan-2-yl] prop-2-enoate;hydrochloride
CID 175094010
3-amino-N-methyl-N-(2-methyl-1-phenylpropyl)cyclopentane-1-carboxamide
CID 119783511
1-(ethylamino)-1-phenylbutan-2-one
CID 123921729

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride?
The IUPAC name of 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride (CID 172694063) is 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride is CCC(=O)C(C)C(c1ccccc1)N(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride?
The InChIKey is CBTBCTCLHCDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-5-13(16)11(2)14(15(3)4)12-9-7-6-8-10-12;/h6-11,14H,5H2,1-4H3;1H.
What are the key properties of 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride?
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride is sourced from PubChem (CID 172694063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).