4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride

C18H23ClN2O2 — CID 119298184

IUPAC4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-13(2)22-17-10-8-16(9-11-17)20-18(21)15-6-4-14(12-19)5-7-15;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H
InChIKeyAPTSIYSSCVHSHL-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.00
Rot. Bonds6

About 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride

4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride (PubChem CID 119298184) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
PubChem CID119298184
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)c2ccc(CN)cc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-13(2)22-17-10-8-16(9-11-17)20-18(21)15-6-4-14(12-19)5-7-15;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H
InChIKeyAPTSIYSSCVHSHL-UHFFFAOYSA-N
XLogP4.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
4-butan-2-yloxy-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 2940925
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
4-butan-2-yloxy-N-[4-(butan-2-ylsulfamoyl)phenyl]benzamide
CID 17160272
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-(4-butan-2-yloxyphenyl)-3-iodo-4-methylbenzamide
CID 17160577
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride (CID 119298184) is 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride is CCC(C)Oc1ccc(NC(=O)c2ccc(CN)cc2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride?
The InChIKey is APTSIYSSCVHSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-13(2)22-17-10-8-16(9-11-17)20-18(21)15-6-4-14(12-19)5-7-15;/h4-11,13H,3,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119298184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).