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

C16H19BrN2 — CID 66448253

IUPAC1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-3-18-16(13-8-4-5-9-14(13)17)11-15-12(2)7-6-10-19-15/h4-10,16,18H,3,11H2,1-2H3
InChIKeyGGDFKCMSNUXRJN-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.05
Rot. Bonds5

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

1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66448253) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66448253
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-3-18-16(13-8-4-5-9-14(13)17)11-15-12(2)7-6-10-19-15/h4-10,16,18H,3,11H2,1-2H3
InChIKeyGGDFKCMSNUXRJN-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-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
N-[1-(5-bromo-2-methylphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66448648
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031215
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
N,3-diethyl-1-(3-methyl-2-pyridinyl)pentan-2-amine
CID 66446885
N-ethyl-1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-amine
CID 66447078

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 66448253) is 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ncccc1C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is GGDFKCMSNUXRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-18-16(13-8-4-5-9-14(13)17)11-15-12(2)7-6-10-19-15/h4-10,16,18H,3,11H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-(2-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-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66448253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).