4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride

C18H23ClN2O — CID 119269307

IUPAC4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-3-14-4-8-16(9-5-14)13(2)20-18(21)17-10-6-15(12-19)7-11-17;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H
InChIKeyOWBKJHQSOZQZIS-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.62
Rot. Bonds5

About 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride (PubChem CID 119269307) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
PubChem CID119269307
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-3-14-4-8-16(9-5-14)13(2)20-18(21)17-10-6-15(12-19)7-11-17;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H
InChIKeyOWBKJHQSOZQZIS-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711
4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-hydroxybenzamide
CID 60917725
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride (CID 119269307) is 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride is CCc1ccc(C(C)NC(=O)c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is OWBKJHQSOZQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-3-14-4-8-16(9-5-14)13(2)20-18(21)17-10-6-15(12-19)7-11-17;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119269307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).