N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine

C16H25BrN2O — CID 82971887

IUPACN-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
SMILESCCNC(C)c1ccc(Br)cc1N(C)C1CCOCC1
InChIInChI=1S/C16H25BrN2O/c1-4-18-12(2)15-6-5-13(17)11-16(15)19(3)14-7-9-20-10-8-14/h5-6,11-12,14,18H,4,7-10H2,1-3H3
InChIKeyYSLBMGNTKSPZFX-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.73
Rot. Bonds5

About N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine

N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine (PubChem CID 82971887) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
PubChem CID82971887
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
SMILESCCNC(C)c1ccc(Br)cc1N(C)C1CCOCC1
InChIInChI=1S/C16H25BrN2O/c1-4-18-12(2)15-6-5-13(17)11-16(15)19(3)14-7-9-20-10-8-14/h5-6,11-12,14,18H,4,7-10H2,1-3H3
InChIKeyYSLBMGNTKSPZFX-UHFFFAOYSA-N
XLogP3.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82967908
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
1-[4-bromo-2-[methyl(oxan-4-yl)amino]phenyl]ethanone
CID 82967435
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
1-[4-bromo-2-(oxetan-3-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969089
5-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-prop-2-enylaniline
CID 82968474

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine (CID 82971887) is N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine is CCNC(C)c1ccc(Br)cc1N(C)C1CCOCC1.
What is the InChIKey of N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine?
The InChIKey is YSLBMGNTKSPZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-18-12(2)15-6-5-13(17)11-16(15)19(3)14-7-9-20-10-8-14/h5-6,11-12,14,18H,4,7-10H2,1-3H3.
What are the key properties of N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine?
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine has a molecular weight of 341.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 82971887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).