4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119317364

IUPAC4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCCOc1ccccc1CCNC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-22-17-6-4-3-5-15(17)11-12-20-18(21)16-9-7-14(13-19)8-10-16;/h3-10H,2,11-13,19H2,1H3,(H,20,21);1H
InChIKeySSHGSCIKSSYOEJ-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.94
Rot. Bonds7

About 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride (PubChem CID 119317364) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
PubChem CID119317364
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
SMILESCCOc1ccccc1CCNC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-22-17-6-4-3-5-15(17)11-12-20-18(21)16-9-7-14(13-19)8-10-16;/h3-10H,2,11-13,19H2,1H3,(H,20,21);1H
InChIKeySSHGSCIKSSYOEJ-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
5-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 120630743
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride (CID 119317364) is 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride is CCOc1ccccc1CCNC(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride?
The InChIKey is SSHGSCIKSSYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-2-22-17-6-4-3-5-15(17)11-12-20-18(21)16-9-7-14(13-19)8-10-16;/h3-10H,2,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119317364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).