4-(2-bromophenyl)-2-methylbutan-1-amine

C11H16BrN — CID 64664319

IUPAC4-(2-bromophenyl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-9(8-13)6-7-10-4-2-3-5-11(10)12/h2-5,9H,6-8,13H2,1H3
InChIKeyBBSYUTNWQDBRGC-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.98
Rot. Bonds4

About 4-(2-bromophenyl)-2-methylbutan-1-amine

4-(2-bromophenyl)-2-methylbutan-1-amine (PubChem CID 64664319) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-methylbutan-1-amine
PubChem CID64664319
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name4-(2-bromophenyl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-9(8-13)6-7-10-4-2-3-5-11(10)12/h2-5,9H,6-8,13H2,1H3
InChIKeyBBSYUTNWQDBRGC-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
1-bromo-2-(3-methylbutyl)benzene;formic acid
CID 174908474
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
2-[2-(4-amino-3-methylbutyl)phenyl]-N-methylaniline
CID 143832136
2-[2-(2-bromophenyl)ethyl]-3-methylbutanal
CID 102391530
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
1-(2-bromophenyl)heptane-3,4-diol
CID 83924175
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
1-bromo-2-[2-(3-methylbutoxy)ethyl]benzene
CID 91691606
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine
CID 126603379

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(2-bromophenyl)-2-methylbutan-1-amine (CID 64664319) is 4-(2-bromophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(2-bromophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(2-bromophenyl)-2-methylbutan-1-amine is CC(CN)CCc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-2-methylbutan-1-amine?
The InChIKey is BBSYUTNWQDBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-9(8-13)6-7-10-4-2-3-5-11(10)12/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 4-(2-bromophenyl)-2-methylbutan-1-amine?
4-(2-bromophenyl)-2-methylbutan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64664319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).