N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide

C13H20N2O2 — CID 112601744

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-13(16)15(3)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3
InChIKeyFAQFRUGFSHFEMH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.53
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide

N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide (PubChem CID 112601744) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
PubChem CID112601744
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)c1cccc(CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-13(16)15(3)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3
InChIKeyFAQFRUGFSHFEMH-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
N-[3-(aminomethyl)phenyl]-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62971832
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
CID 43275430
N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
CID 116548190
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112602723

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide (CID 112601744) is N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(C)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide?
The InChIKey is FAQFRUGFSHFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)17-9-13(16)15(3)12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide?
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112601744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).