4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride

C18H23ClN2O3 — CID 119263813

IUPAC4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-8-5-13(11-17(16)23-2)9-10-20-18(21)15-6-3-14(12-19)4-7-15;/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyCZNSUQSSIFUTAS-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.56
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride (PubChem CID 119263813) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
PubChem CID119263813
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-8-5-13(11-17(16)23-2)9-10-20-18(21)15-6-3-14(12-19)4-7-15;/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyCZNSUQSSIFUTAS-UHFFFAOYSA-N
XLogP2.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119998901
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride (CID 119263813) is 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride is COc1ccc(CCNC(=O)c2ccc(CN)cc2)cc1OC.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is CZNSUQSSIFUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-22-16-8-5-13(11-17(16)23-2)9-10-20-18(21)15-6-3-14(12-19)4-7-15;/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119263813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).