2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide

C16H25BrN2O — CID 66473597

IUPAC2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
SMILESCc1cc(CNC(CC(C)C)C(=O)N(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)8-15(16(20)19(4)5)18-10-13-6-7-14(17)12(3)9-13/h6-7,9,11,15,18H,8,10H2,1-5H3
InChIKeyGCDZQRDNNGZFNY-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.35
Rot. Bonds6

About 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide

2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide (PubChem CID 66473597) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
PubChem CID66473597
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
SMILESCc1cc(CNC(CC(C)C)C(=O)N(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O/c1-11(2)8-15(16(20)19(4)5)18-10-13-6-7-14(17)12(3)9-13/h6-7,9,11,15,18H,8,10H2,1-5H3
InChIKeyGCDZQRDNNGZFNY-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-methylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 115556733
4-[[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]methyl]benzoic acid
CID 65348249
2-[(5-bromothiophen-3-yl)methylamino]-N,N,4-trimethylpentanamide
CID 43675102
2-[(4-bromo-3-methylphenyl)methylamino]-N,N-diethylpropanamide
CID 66473610
2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 79969385
(2R)-2-[(4-bromo-3-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 122037439
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
(2R)-2-[(4-bromo-3-methylphenyl)methylamino]-3-methylbutanoic acid
CID 120511144
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
2-[(4-bromo-3-methylphenyl)methylamino]hexanoic acid
CID 120510240
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide (CID 66473597) is 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide is Cc1cc(CNC(CC(C)C)C(=O)N(C)C)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide?
The InChIKey is GCDZQRDNNGZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-11(2)8-15(16(20)19(4)5)18-10-13-6-7-14(17)12(3)9-13/h6-7,9,11,15,18H,8,10H2,1-5H3.
What are the key properties of 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide?
2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide has a molecular weight of 341.29 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)methylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 66473597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).