1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine

C16H19BrN2 — CID 66448055

IUPAC1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2/c1-3-18-16(13-7-4-8-14(17)10-13)11-15-12(2)6-5-9-19-15/h4-10,16,18H,3,11H2,1-2H3
InChIKeyLGCOOGWAXREAGM-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.05
Rot. Bonds5

About 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine

1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66448055) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66448055
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1cccc(Br)c1
InChIInChI=1S/C16H19BrN2/c1-3-18-16(13-7-4-8-14(17)10-13)11-15-12(2)6-5-9-19-15/h4-10,16,18H,3,11H2,1-2H3
InChIKeyLGCOOGWAXREAGM-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448648
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
1-(3-bromophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 63413050
N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031215
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 66448055) is 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ncccc1C)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is LGCOOGWAXREAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-18-16(13-7-4-8-14(17)10-13)11-15-12(2)6-5-9-19-15/h4-10,16,18H,3,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 319.25 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66448055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).