2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide

C14H21BrN2O — CID 82757220

IUPAC2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-14(5-2,9-16)13(18)17-12-8-10(3)6-7-11(12)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyJDDSVJYMCKFDDO-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.46
Rot. Bonds5

About 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide

2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide (PubChem CID 82757220) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
PubChem CID82757220
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C14H21BrN2O/c1-4-14(5-2,9-16)13(18)17-12-8-10(3)6-7-11(12)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyJDDSVJYMCKFDDO-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
2-(aminomethyl)-2-ethyl-N-(5-methyl-2-nitrophenyl)butanamide
CID 115912622
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
(2-bromo-5-methylphenyl)urea
CID 82707313
2-(aminomethyl)-2-ethyl-N-(4-hydroxy-2-methylphenyl)butanamide
CID 115432577
2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722
(3Z)-3-amino-N-(2-bromo-5-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 82767181
2-(aminomethyl)-2-ethyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62815380
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide (CID 82757220) is 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide?
The InChIKey is JDDSVJYMCKFDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-14(5-2,9-16)13(18)17-12-8-10(3)6-7-11(12)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bromo-5-methylphenyl)-2-ethylbutanamide is sourced from PubChem (CID 82757220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).