N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide

C17H20N2O2 — CID 62505777

IUPACN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C17H20N2O2/c1-11-4-7-16(21-3)14(8-11)17(20)19-15-9-13(10-18)6-5-12(15)2/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyKOGXLNIKNGGSFH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.02
Rot. Bonds4

About N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide

N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide (PubChem CID 62505777) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
PubChem CID62505777
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C17H20N2O2/c1-11-4-7-16(21-3)14(8-11)17(20)19-15-9-13(10-18)6-5-12(15)2/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyKOGXLNIKNGGSFH-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
CID 167958385
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide (CID 62505777) is N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide?
The InChIKey is KOGXLNIKNGGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-7-16(21-3)14(8-11)17(20)19-15-9-13(10-18)6-5-12(15)2/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide?
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 62505777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).