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

C14H21BrN2O — CID 114285595

IUPAC4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C(C)(C)CCN
InChIInChI=1S/C14H21BrN2O/c1-14(2,7-8-16)13(18)17(3)10-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,16H2,1-3H3
InChIKeyZYQBQCCBKWRAJI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds5

About 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide

4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 114285595) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID114285595
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCN(Cc1cccc(Br)c1)C(=O)C(C)(C)CCN
InChIInChI=1S/C14H21BrN2O/c1-14(2,7-8-16)13(18)17(3)10-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,16H2,1-3H3
InChIKeyZYQBQCCBKWRAJI-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-[(3-bromophenyl)methyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79804996
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
methyl 3-[(3-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619783
2-[[(3-bromophenyl)methyl-methylcarbamoyl]-tert-butylamino]acetic acid
CID 79263968
3-amino-N-[(5-bromo-2-methylphenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154703
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide (CID 114285595) is 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide is CN(Cc1cccc(Br)c1)C(=O)C(C)(C)CCN.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is ZYQBQCCBKWRAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(2,7-8-16)13(18)17(3)10-11-5-4-6-12(15)9-11/h4-6,9H,7-8,10,16H2,1-3H3.
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide 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 4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 114285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).