2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine

C17H21BrN2O — CID 104803663

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccc(OC)c(C)c1
InChIInChI=1S/C17H21BrN2O/c1-4-19-16(10-15-7-6-14(18)11-20-15)13-5-8-17(21-3)12(2)9-13/h5-9,11,16,19H,4,10H2,1-3H3
InChIKeySRHUHJCGIPUGOH-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.05
Rot. Bonds6

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine (PubChem CID 104803663) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
PubChem CID104803663
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)c1ccc(OC)c(C)c1
InChIInChI=1S/C17H21BrN2O/c1-4-19-16(10-15-7-6-14(18)11-20-15)13-5-8-17(21-3)12(2)9-13/h5-9,11,16,19H,4,10H2,1-3H3
InChIKeySRHUHJCGIPUGOH-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 104803662
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
2-(3-bromophenyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine
CID 63503341
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174
2-(5-bromo-2-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 105036461

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine (CID 104803663) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine is CCNC(Cc1ccc(Br)cn1)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
The InChIKey is SRHUHJCGIPUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-19-16(10-15-7-6-14(18)11-20-15)13-5-8-17(21-3)12(2)9-13/h5-9,11,16,19H,4,10H2,1-3H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-methoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 104803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).