2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide

C14H22BrN3O — CID 114879565

IUPAC2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(Br)c1CN
InChIInChI=1S/C14H22BrN3O/c1-4-18(9-14(19)17-10(2)3)13-7-5-6-12(15)11(13)8-16/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyQRAQVDKMUHFOOT-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.26
Rot. Bonds6

About 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide

2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide (PubChem CID 114879565) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
PubChem CID114879565
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(Br)c1CN
InChIInChI=1S/C14H22BrN3O/c1-4-18(9-14(19)17-10(2)3)13-7-5-6-12(15)11(13)8-16/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyQRAQVDKMUHFOOT-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide 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

2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-[2-(aminomethyl)-3-bromo-N-butylanilino]acetamide
CID 114879596
2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 64589162
2-(aminomethyl)-3-bromo-N-butyl-N-ethylaniline
CID 114879435
2-(2-carbamothioyl-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 79512883
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 113412169
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide (CID 114879565) is 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cccc(Br)c1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide?
The InChIKey is QRAQVDKMUHFOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-4-18(9-14(19)17-10(2)3)13-7-5-6-12(15)11(13)8-16/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide?
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide has a molecular weight of 328.25 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 114879565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).