N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide

C12H18N2O — CID 43275962

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)14(10(3)15)12-6-4-11(8-13)5-7-12/h4-7,9H,8,13H2,1-3H3
InChIKeyATYHREHUGIULHM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.91
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide

N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide (PubChem CID 43275962) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
PubChem CID43275962
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C12H18N2O/c1-9(2)14(10(3)15)12-6-4-11(8-13)5-7-12/h4-7,9H,8,13H2,1-3H3
InChIKeyATYHREHUGIULHM-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136
N-[4-(aminomethyl)phenyl]-2-cyclopropyl-N-propan-2-ylpropanamide
CID 83146456
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-carboxamide
CID 62907547
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-[4-(aminomethyl)phenyl]-2-methylpropanehydrazide
CID 174490101
N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 103510202
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide (CID 43275962) is N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide is CC(=O)N(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide?
The InChIKey is ATYHREHUGIULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)14(10(3)15)12-6-4-11(8-13)5-7-12/h4-7,9H,8,13H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide has a molecular weight of 206.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 43275962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).