2-(aminomethyl)-5-tert-butylbenzamide

C12H18N2O — CID 140516367

IUPAC2-(aminomethyl)-5-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(CN)c(C(N)=O)c1
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-5-4-8(7-13)10(6-9)11(14)15/h4-6H,7,13H2,1-3H3,(H2,14,15)
InChIKeyTWXWLHXZYPPPSI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds2

About 2-(aminomethyl)-5-tert-butylbenzamide

2-(aminomethyl)-5-tert-butylbenzamide (PubChem CID 140516367) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butylbenzamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butylbenzamide
PubChem CID140516367
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(aminomethyl)-5-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(CN)c(C(N)=O)c1
InChIInChI=1S/C12H18N2O/c1-12(2,3)9-5-4-8(7-13)10(6-9)11(14)15/h4-6H,7,13H2,1-3H3,(H2,14,15)
InChIKeyTWXWLHXZYPPPSI-UHFFFAOYSA-N
XLogP1.54
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butylbenzamide?
The IUPAC name of 2-(aminomethyl)-5-tert-butylbenzamide (CID 140516367) is 2-(aminomethyl)-5-tert-butylbenzamide.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butylbenzamide?
The canonical SMILES for 2-(aminomethyl)-5-tert-butylbenzamide is CC(C)(C)c1ccc(CN)c(C(N)=O)c1.
What is the InChIKey of 2-(aminomethyl)-5-tert-butylbenzamide?
The InChIKey is TWXWLHXZYPPPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)9-5-4-8(7-13)10(6-9)11(14)15/h4-6H,7,13H2,1-3H3,(H2,14,15).
What are the key properties of 2-(aminomethyl)-5-tert-butylbenzamide?
2-(aminomethyl)-5-tert-butylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butylbenzamide is sourced from PubChem (CID 140516367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).