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

C14H22BrN — CID 103460661

IUPACN-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(C)cc1Br
InChIInChI=1S/C14H22BrN/c1-5-14(3,4)10-16-9-12-7-6-11(2)8-13(12)15/h6-8,16H,5,9-10H2,1-4H3
InChIKeyAPNNYUFWTLMOTH-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.28
Rot. Bonds5

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

N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460661) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID103460661
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccc(C)cc1Br
InChIInChI=1S/C14H22BrN/c1-5-14(3,4)10-16-9-12-7-6-11(2)8-13(12)15/h6-8,16H,5,9-10H2,1-4H3
InChIKeyAPNNYUFWTLMOTH-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-chlorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460580
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 84589778
N-[(2-bromo-4-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624998
methyl 3-bromo-4-[(2,2-dimethylbutylamino)methyl]benzoate
CID 103461407
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 106869881
N-[(2-bromo-5-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 81109555
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103698815
N-[(2-bromo-4-methylphenyl)methyl]pent-3-yn-1-amine
CID 115978395
3-[(2-bromo-4-methylphenyl)methylamino]-3-methylbutan-2-ol
CID 115866691
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine (CID 103460661) is N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1ccc(C)cc1Br.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is APNNYUFWTLMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-5-14(3,4)10-16-9-12-7-6-11(2)8-13(12)15/h6-8,16H,5,9-10H2,1-4H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine?
N-[(2-bromo-4-methylphenyl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 284.24 g/mol, XLogP of 4.28, 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-methylphenyl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).