N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine

C13H19BrClN — CID 103460580

IUPACN-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H19BrClN/c1-4-13(2,3)9-16-8-10-5-6-11(15)7-12(10)14/h5-7,16H,4,8-9H2,1-3H3
InChIKeyUENMVODVHBYNPG-UHFFFAOYSA-N
MW304.66 g/mol
LogP4.63
Rot. Bonds5

About N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine

N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460580) has the molecular formula C13H19BrClN and a molecular weight of 304.66 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID103460580
Molecular FormulaC13H19BrClN
Molecular Weight304.66 g/mol
Exact Mass303.04
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(Cl)cc1Br
InChIInChI=1S/C13H19BrClN/c1-4-13(2,3)9-16-8-10-5-6-11(15)7-12(10)14/h5-7,16H,4,8-9H2,1-3H3
InChIKeyUENMVODVHBYNPG-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460661
1-N-[(2-bromo-4-chlorophenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 81494425
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
4-chloro-2-[(2,2-dimethylbutylamino)methyl]phenol
CID 103460689
N-[(4-chloro-2-nitrophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461195
N-[(2-bromo-4-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 75361237
methyl 3-bromo-4-[(2,2-dimethylbutylamino)methyl]benzoate
CID 103461407
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 81497365
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103698815
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-[(2-bromo-4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115742344

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine (CID 103460580) is N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is UENMVODVHBYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN/c1-4-13(2,3)9-16-8-10-5-6-11(15)7-12(10)14/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine?
N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 304.66 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).