2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride

C22H24ClNO — CID 18767247

IUPAC2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
SMILESCN(C)CC(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C22H23NO.ClH/c1-23(2)16-21(14-17-8-4-3-5-9-17)22(24)20-13-12-18-10-6-7-11-19(18)15-20;/h3-13,15,21H,14,16H2,1-2H3;1H
InChIKeyZWCJBIXSKQGQSZ-UHFFFAOYSA-N
MW353.89 g/mol
LogP4.86
Rot. Bonds6

About 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride

2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride (PubChem CID 18767247) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
PubChem CID18767247
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
SMILESCN(C)CC(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C22H23NO.ClH/c1-23(2)16-21(14-17-8-4-3-5-9-17)22(24)20-13-12-18-10-6-7-11-19(18)15-20;/h3-13,15,21H,14,16H2,1-2H3;1H
InChIKeyZWCJBIXSKQGQSZ-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 18767296
2-[(3,4-dimethoxyphenyl)methyl]-3-(dimethylamino)-1-phenylpropan-1-one
CID 117067752
N,N-dimethyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67203789
3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
CID 174432305
3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 54607588
(2S)-2-[(dimethylamino)methyl]-3,3-bis(3-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 70009753
2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 18767233
(2S)-2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 70009309
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride (CID 18767247) is 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride is CN(C)CC(Cc1ccccc1)C(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride?
The InChIKey is ZWCJBIXSKQGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO.ClH/c1-23(2)16-21(14-17-8-4-3-5-9-17)22(24)20-13-12-18-10-6-7-11-19(18)15-20;/h3-13,15,21H,14,16H2,1-2H3;1H.
What are the key properties of 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride?
2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 18767247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).