(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide

C12H17BrN2O — CID 97341035

IUPAC(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
SMILESCC[C@@](C)(NCc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C12H17BrN2O/c1-3-12(2,11(14)16)15-8-9-5-4-6-10(13)7-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)/t12-/m1/s1
InChIKeyOWMVFODIBSALTK-GFCCVEGCSA-N
MW285.19 g/mol
LogP2.19
Rot. Bonds5

About (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide

(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide (PubChem CID 97341035) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
PubChem CID97341035
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
SMILESCC[C@@](C)(NCc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C12H17BrN2O/c1-3-12(2,11(14)16)15-8-9-5-4-6-10(13)7-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)/t12-/m1/s1
InChIKeyOWMVFODIBSALTK-GFCCVEGCSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide
CID 113299102
2-[(3-bromophenyl)methylamino]-3-hydroxy-2-methylpropanoic acid
CID 67025353
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
2-[(3-bromophenyl)methylamino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 44554248
2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
2-[[(3-bromophenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129319
N-[(3-bromophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331375
3-[(3-bromophenyl)methyl]pentan-3-amine
CID 60799234
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide?
The IUPAC name of (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide (CID 97341035) is (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide.
What is the SMILES notation for (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide?
The canonical SMILES for (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide is CC[C@@](C)(NCc1cccc(Br)c1)C(N)=O.
What is the InChIKey of (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide?
The InChIKey is OWMVFODIBSALTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-12(2,11(14)16)15-8-9-5-4-6-10(13)7-9/h4-7,15H,3,8H2,1-2H3,(H2,14,16)/t12-/m1/s1.
What are the key properties of (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide?
(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide is sourced from PubChem (CID 97341035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).