N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride

C18H23ClN2O — CID 119440699

IUPACN-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-4-19-12-16-7-5-6-8-17(16)20-18(21)15-10-9-13(2)14(3)11-15;/h5-11,19H,4,12H2,1-3H3,(H,20,21);1H
InChIKeyWRJNTHFTLKXIIO-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.09
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride (PubChem CID 119440699) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
PubChem CID119440699
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-4-19-12-16-7-5-6-8-17(16)20-18(21)15-10-9-13(2)14(3)11-15;/h5-11,19H,4,12H2,1-3H3,(H,20,21);1H
InChIKeyWRJNTHFTLKXIIO-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
4-ethyl-N-[2-(ethylaminomethyl)phenyl]-3-nitrobenzamide
CID 119440638
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride (CID 119440699) is N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride is CCNCc1ccccc1NC(=O)c1ccc(C)c(C)c1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride?
The InChIKey is WRJNTHFTLKXIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-4-19-12-16-7-5-6-8-17(16)20-18(21)15-10-9-13(2)14(3)11-15;/h5-11,19H,4,12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119440699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).