1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine

C16H18BrClN2O — CID 115984917

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H18BrClN2O/c1-3-20-15(9-11-6-7-19-10-14(11)18)12-4-5-16(21-2)13(17)8-12/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyGTCFHHAIFDUDIW-UHFFFAOYSA-N
MW369.69 g/mol
LogP4.40
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine

1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine (PubChem CID 115984917) has the molecular formula C16H18BrClN2O and a molecular weight of 369.69 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
PubChem CID115984917
Molecular FormulaC16H18BrClN2O
Molecular Weight369.69 g/mol
Exact Mass368.03
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
SMILESCCNC(Cc1ccncc1Cl)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H18BrClN2O/c1-3-20-15(9-11-6-7-19-10-14(11)18)12-4-5-16(21-2)13(17)8-12/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyGTCFHHAIFDUDIW-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.69
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
1-(3-bromo-5-chlorophenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 107946091
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
1-(3-bromo-4-methoxyphenyl)-2-(3-bromophenyl)-N-ethylethanamine
CID 63509459
[1-(3-bromo-4-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295115
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751
1-(3-chloro-4-pyridinyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197915
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine (CID 115984917) is 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine is CCNC(Cc1ccncc1Cl)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
The InChIKey is GTCFHHAIFDUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O/c1-3-20-15(9-11-6-7-19-10-14(11)18)12-4-5-16(21-2)13(17)8-12/h4-8,10,15,20H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine has a molecular weight of 369.69 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine is sourced from PubChem (CID 115984917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).