3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride

C12H18ClNO2 — CID 50742434

IUPAC3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1cccc(C(=O)CCN(C)C)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-13(2)8-7-12(14)10-5-4-6-11(9-10)15-3;/h4-6,9H,7-8H2,1-3H3;1H
InChIKeyGOLJIZFBSRNXAP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.25
Rot. Bonds5

About 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride

3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride (PubChem CID 50742434) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride
PubChem CID50742434
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1cccc(C(=O)CCN(C)C)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-13(2)8-7-12(14)10-5-4-6-11(9-10)15-3;/h4-6,9H,7-8H2,1-3H3;1H
InChIKeyGOLJIZFBSRNXAP-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride (CID 50742434) is 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride is COc1cccc(C(=O)CCN(C)C)c1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is GOLJIZFBSRNXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-13(2)8-7-12(14)10-5-4-6-11(9-10)15-3;/h4-6,9H,7-8H2,1-3H3;1H.
What are the key properties of 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride?
3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 50742434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).