2-(2-bromophenyl)-N-ethylpentan-3-amine

C13H20BrN — CID 79308386

IUPAC2-(2-bromophenyl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-4-13(15-5-2)10(3)11-8-6-7-9-12(11)14/h6-10,13,15H,4-5H2,1-3H3
InChIKeyCUUOKEMOZLQJOW-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-bromophenyl)-N-ethylpentan-3-amine

2-(2-bromophenyl)-N-ethylpentan-3-amine (PubChem CID 79308386) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethylpentan-3-amine
PubChem CID79308386
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name2-(2-bromophenyl)-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)c1ccccc1Br
InChIInChI=1S/C13H20BrN/c1-4-13(15-5-2)10(3)11-8-6-7-9-12(11)14/h6-10,13,15H,4-5H2,1-3H3
InChIKeyCUUOKEMOZLQJOW-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-N-ethyl-2-methylbutan-1-amine
CID 79445957
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
N-ethyl-2-(2-nitrophenyl)pentan-3-amine
CID 55221329
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
2-(2-bromophenyl)-4-methyl-N-propylpentan-3-amine
CID 79299281
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutan-1-amine
CID 81383492
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
1-(2-bromophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63417467
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethylpentan-3-amine?
The IUPAC name of 2-(2-bromophenyl)-N-ethylpentan-3-amine (CID 79308386) is 2-(2-bromophenyl)-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethylpentan-3-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethylpentan-3-amine is CCNC(CC)C(C)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-ethylpentan-3-amine?
The InChIKey is CUUOKEMOZLQJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-13(15-5-2)10(3)11-8-6-7-9-12(11)14/h6-10,13,15H,4-5H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-ethylpentan-3-amine?
2-(2-bromophenyl)-N-ethylpentan-3-amine has a molecular weight of 270.21 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethylpentan-3-amine is sourced from PubChem (CID 79308386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).