2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide

C14H21BrN2O — CID 76895271

IUPAC2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccccc1Br)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H21BrN2O/c1-14(2,3)12(16)13(18)17(4)9-10-7-5-6-8-11(10)15/h5-8,12H,9,16H2,1-4H3
InChIKeyDDZFRXURWRRGKP-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds3

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

2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 76895271) 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,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID76895271
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccccc1Br)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C14H21BrN2O/c1-14(2,3)12(16)13(18)17(4)9-10-7-5-6-8-11(10)15/h5-8,12H,9,16H2,1-4H3
InChIKeyDDZFRXURWRRGKP-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894868
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 55102721
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]-methylamino]ethyl]benzoic acid
CID 104548332
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide (CID 76895271) is 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide is CN(Cc1ccccc1Br)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is DDZFRXURWRRGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(2,3)12(16)13(18)17(4)9-10-7-5-6-8-11(10)15/h5-8,12H,9,16H2,1-4H3.
What are the key properties of 2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide?
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 313.24 g/mol, XLogP of 2.78, 3 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,3,3-trimethylbutanamide is sourced from PubChem (CID 76895271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).