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

C14H22N2O2 — CID 114105016

IUPACN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C14H22N2O2/c1-5-14(3,18-4)13(17)16-12-8-11(9-15)7-6-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyMJGMVAVWASONKC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds5

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

N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide (PubChem CID 114105016) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
PubChem CID114105016
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C14H22N2O2/c1-5-14(3,18-4)13(17)16-12-8-11(9-15)7-6-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyMJGMVAVWASONKC-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
N-(4-amino-2,5-dimethylphenyl)-2-methoxy-2-methylbutanamide
CID 114105109
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-(3-hydroxy-4-methylphenyl)-2-methoxy-2-methylbutanamide
CID 114105808
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-[5-(aminomethyl)-2-methylphenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475489
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
CID 62104870

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide (CID 114105016) is N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide?
The InChIKey is MJGMVAVWASONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-14(3,18-4)13(17)16-12-8-11(9-15)7-6-10(12)2/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide?
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.21, 5 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-2-methylbutanamide is sourced from PubChem (CID 114105016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).