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

C13H20N2O2 — CID 103017435

IUPACN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C13H20N2O2/c1-9-5-6-10(8-14)7-11(9)15-12(16)13(2,3)17-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyTVNMDPCCGBCBAK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds4

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

N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103017435) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
PubChem CID103017435
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C13H20N2O2/c1-9-5-6-10(8-14)7-11(9)15-12(16)13(2,3)17-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyTVNMDPCCGBCBAK-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylbutanamide
CID 114105016
1-[5-(aminomethyl)-2-methylphenyl]-3-(2-methoxyphenyl)urea
CID 62103048
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
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
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide (CID 103017435) is N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is TVNMDPCCGBCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-6-10(8-14)7-11(9)15-12(16)13(2,3)17-4/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide?
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.82, 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-2-methylpropanamide is sourced from PubChem (CID 103017435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).