3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide

C11H15BrN2O — CID 51890269

IUPAC3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCN
InChIInChI=1S/C11H15BrN2O/c1-14(11(15)6-7-13)8-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3
InChIKeyZMJJFHRCXVOPOD-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide

3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide (PubChem CID 51890269) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide
PubChem CID51890269
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCN
InChIInChI=1S/C11H15BrN2O/c1-14(11(15)6-7-13)8-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3
InChIKeyZMJJFHRCXVOPOD-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3678007
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N-[3-(benzylmethylamino)propyl]-2-bromobenzamide
CID 40624141
(E)-3-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846920
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-Allyl-2-bromobenzamide
CID 1591515
N-Benzyl-2-bromopropanamide
CID 145880
N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide
CID 62679368
N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 62679370
N-Benzyl-2-bromo-2-methylpropanamide
CID 151608
2-bromo-N-propylbenzamide
CID 4653287

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide (CID 51890269) is 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide is CN(Cc1ccccc1Br)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
The InChIKey is ZMJJFHRCXVOPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-14(11(15)6-7-13)8-9-4-2-3-5-10(9)12/h2-5H,6-8,13H2,1H3.
What are the key properties of 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide?
3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide has a molecular weight of 271.16 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 51890269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).