1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine

C17H21BrN2O — CID 62911909

IUPAC1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCc2ccccn2)c(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-3-19-13(2)14-7-8-17(16(18)12-14)21-11-9-15-6-4-5-10-20-15/h4-8,10,12-13,19H,3,9,11H2,1-2H3
InChIKeyCMEAPWAVORWLTB-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.14
Rot. Bonds7

About 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine

1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine (PubChem CID 62911909) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
PubChem CID62911909
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OCCc2ccccn2)c(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-3-19-13(2)14-7-8-17(16(18)12-14)21-11-9-15-6-4-5-10-20-15/h4-8,10,12-13,19H,3,9,11H2,1-2H3
InChIKeyCMEAPWAVORWLTB-UHFFFAOYSA-N
XLogP4.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202278
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
3-bromo-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 63052810
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine (CID 62911909) is 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(OCCc2ccccn2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine?
The InChIKey is CMEAPWAVORWLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-19-13(2)14-7-8-17(16(18)12-14)21-11-9-15-6-4-5-10-20-15/h4-8,10,12-13,19H,3,9,11H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine?
1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-pyridin-2-ylethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 62911909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).