N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine

C16H25BrN2O — CID 82968198

IUPACN-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
SMILESCCNC(C)c1cc(Br)ccc1N(C)C1CCOC1C
InChIInChI=1S/C16H25BrN2O/c1-5-18-11(2)14-10-13(17)6-7-16(14)19(4)15-8-9-20-12(15)3/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyYLBZGLGFEXYMCP-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.73
Rot. Bonds5

About N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine

N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82968198) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82968198
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
SMILESCCNC(C)c1cc(Br)ccc1N(C)C1CCOC1C
InChIInChI=1S/C16H25BrN2O/c1-5-18-11(2)14-10-13(17)6-7-16(14)19(4)15-8-9-20-12(15)3/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyYLBZGLGFEXYMCP-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

1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 82954617
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,1-dimethylpiperidin-3-amine
CID 82955224
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-ylaniline
CID 82971800
N-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N-methyloxolan-3-amine
CID 82968688
N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
CID 82754495
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine (CID 82968198) is N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine is CCNC(C)c1cc(Br)ccc1N(C)C1CCOC1C.
What is the InChIKey of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is YLBZGLGFEXYMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-5-18-11(2)14-10-13(17)6-7-16(14)19(4)15-8-9-20-12(15)3/h6-7,10-12,15,18H,5,8-9H2,1-4H3.
What are the key properties of N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine?
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-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-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82968198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).