N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine

C13H20BrN — CID 43824431

IUPACN-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-5-13(3,4)15-10(2)11-8-6-7-9-12(11)14/h6-10,15H,5H2,1-4H3
InChIKeyLUSHPQUSTFCPLY-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine

N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine (PubChem CID 43824431) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine
PubChem CID43824431
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-5-13(3,4)15-10(2)11-8-6-7-9-12(11)14/h6-10,15H,5H2,1-4H3
InChIKeyLUSHPQUSTFCPLY-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664067
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[(1R)-1-(2-bromophenyl)ethyl]pent-1-yn-3-amine
CID 104865346

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine (CID 43824431) is N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine?
The InChIKey is LUSHPQUSTFCPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-5-13(3,4)15-10(2)11-8-6-7-9-12(11)14/h6-10,15H,5H2,1-4H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine?
N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 43824431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).