2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide

C14H21BrN2O — CID 77144498

IUPAC2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1ccccc1Br)C(=O)C(N)C(C)C
InChIInChI=1S/C14H21BrN2O/c1-4-17(14(18)13(16)10(2)3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,4,9,16H2,1-3H3
InChIKeyBZBDFNYAOTXPFD-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds5

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

2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide (PubChem CID 77144498) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
PubChem CID77144498
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
SMILESCCN(Cc1ccccc1Br)C(=O)C(N)C(C)C
InChIInChI=1S/C14H21BrN2O/c1-4-17(14(18)13(16)10(2)3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,4,9,16H2,1-3H3
InChIKeyBZBDFNYAOTXPFD-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
(2R)-2-amino-N-[(4-cyano-2-fluorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 79012793
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 66568463
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide (CID 77144498) is 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide is CCN(Cc1ccccc1Br)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide?
The InChIKey is BZBDFNYAOTXPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-4-17(14(18)13(16)10(2)3)9-11-7-5-6-8-12(11)15/h5-8,10,13H,4,9,16H2,1-3H3.
What are the key properties of 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide?
2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 77144498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).