N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine

C14H22BrN — CID 165439045

IUPACN-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(C)c(Br)c1C
InChIInChI=1S/C14H22BrN/c1-6-14(4,5)16-9-12-8-7-10(2)13(15)11(12)3/h7-8,16H,6,9H2,1-5H3
InChIKeyCDYKCXLKZJECDK-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.34
Rot. Bonds4

About N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine

N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 165439045) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine
PubChem CID165439045
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(C)c(Br)c1C
InChIInChI=1S/C14H22BrN/c1-6-14(4,5)16-9-12-8-7-10(2)13(15)11(12)3/h7-8,16H,6,9H2,1-5H3
InChIKeyCDYKCXLKZJECDK-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2,4-dimethylphenyl)-2-methylpropan-2-amine
CID 84805284
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-2-amine
CID 65323672
2-methyl-N-[2-(2-methylphenyl)ethyl]butan-2-amine
CID 54852975
N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
CID 106328069
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
N-[2-(4-bromo-3,5-dimethylphenoxy)propyl]-2-methylbutan-2-amine
CID 107726655
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
CID 79889215
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine (CID 165439045) is N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ccc(C)c(Br)c1C.
What is the InChIKey of N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is CDYKCXLKZJECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-6-14(4,5)16-9-12-8-7-10(2)13(15)11(12)3/h7-8,16H,6,9H2,1-5H3.
What are the key properties of N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine?
N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 165439045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).