3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride

C18H22ClNO2 — CID 3039850

IUPAC3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-19(2)13-12-18(20)16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyJAMXOOWCTJUJQX-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.82
Rot. Bonds7

About 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride

3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride (PubChem CID 3039850) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride
PubChem CID3039850
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-19(2)13-12-18(20)16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyJAMXOOWCTJUJQX-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride (CID 3039850) is 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride is CN(C)CCC(=O)c1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is JAMXOOWCTJUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-19(2)13-12-18(20)16-8-10-17(11-9-16)21-14-15-6-4-3-5-7-15;/h3-11H,12-14H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 3039850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).