2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide

C15H25N3O2 — CID 61488230

IUPAC2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCN(CC(=O)NC(C)COC)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(10-15(19)17-12(2)11-20-3)14-7-5-13(9-16)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyQMBXRLHIMJVGDS-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.12
Rot. Bonds8

About 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide

2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61488230) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61488230
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCN(CC(=O)NC(C)COC)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O2/c1-4-18(10-15(19)17-12(2)11-20-3)14-7-5-13(9-16)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyQMBXRLHIMJVGDS-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488232
2-[4-(aminomethyl)-N-ethylanilino]-N-(3-methoxypropyl)acetamide
CID 61486228
2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
CID 60685420
2-[4-(aminomethyl)-N-ethylanilino]acetamide
CID 43275827
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61487959
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-pentan-2-ylacetamide
CID 61489756
2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62010198
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide (CID 61488230) is 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide is CCN(CC(=O)NC(C)COC)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is QMBXRLHIMJVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18(10-15(19)17-12(2)11-20-3)14-7-5-13(9-16)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide?
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61488230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).