4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride

C16H21ClN2OS — CID 119287416

IUPAC4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)c2ccc(CN)cc2)c(C)s1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-10-8-15(12(3)20-10)11(2)18-16(19)14-6-4-13(9-17)5-7-14;/h4-8,11H,9,17H2,1-3H3,(H,18,19);1H
InChIKeyQNVUAUGHWAHLTA-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.74
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride (PubChem CID 119287416) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
PubChem CID119287416
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
SMILESCc1cc(C(C)NC(=O)c2ccc(CN)cc2)c(C)s1.Cl
InChIInChI=1S/C16H20N2OS.ClH/c1-10-8-15(12(3)20-10)11(2)18-16(19)14-6-4-13(9-17)5-7-14;/h4-8,11H,9,17H2,1-3H3,(H,18,19);1H
InChIKeyQNVUAUGHWAHLTA-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]phenyl]acetic acid
CID 146130625
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
CID 119327103
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 39167644
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide
CID 51947181
4-chloro-N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167663
4-chloro-N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167661
5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
CID 79691515
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride (CID 119287416) is 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride is Cc1cc(C(C)NC(=O)c2ccc(CN)cc2)c(C)s1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride?
The InChIKey is QNVUAUGHWAHLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c1-10-8-15(12(3)20-10)11(2)18-16(19)14-6-4-13(9-17)5-7-14;/h4-8,11H,9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119287416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).