2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride

C11H16ClNO — CID 71750436

IUPAC2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride
SMILESCNC(C)C(=O)c1cccc(C)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-5-4-6-10(7-8)11(13)9(2)12-3;/h4-7,9,12H,1-3H3;1H
InChIKeyRPFQEIQTWQWCQH-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.21
Rot. Bonds3

About 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride

2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride (PubChem CID 71750436) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride
PubChem CID71750436
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride
SMILESCNC(C)C(=O)c1cccc(C)c1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-8-5-4-6-10(7-8)11(13)9(2)12-3;/h4-7,9,12H,1-3H3;1H
InChIKeyRPFQEIQTWQWCQH-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(3-methylphenyl)propan-1-one
CID 145487890
2-methyl-3-(3-methylphenyl)-3-oxopropanamide
CID 121217094
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 101373667
[1-(3-methylphenyl)-1-oxopropan-2-yl] acetate
CID 174596845
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
bis(3-methylphenyl)methanone
CID 17848
3-methylbenzamide;2-methylpropane
CID 160767336
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
[1,3-bis(3-methylphenyl)-1,3-dioxopropan-2-yl]phosphonic acid
CID 66796244
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride (CID 71750436) is 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride is CNC(C)C(=O)c1cccc(C)c1.Cl.
What is the InChIKey of 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride?
The InChIKey is RPFQEIQTWQWCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-8-5-4-6-10(7-8)11(13)9(2)12-3;/h4-7,9,12H,1-3H3;1H.
What are the key properties of 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride?
2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-methylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 71750436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).