1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine

C17H21BrN2 — CID 105087681

IUPAC1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2/c1-2-19-16(11-10-15-8-5-6-12-20-15)13-14-7-3-4-9-17(14)18/h3-9,12,16,19H,2,10-11,13H2,1H3
InChIKeyMRGJCHLRXSVQHA-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.00
Rot. Bonds7

About 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine

1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (PubChem CID 105087681) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
PubChem CID105087681
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
SMILESCCNC(CCc1ccccn1)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2/c1-2-19-16(11-10-15-8-5-6-12-20-15)13-14-7-3-4-9-17(14)18/h3-9,12,16,19H,2,10-11,13H2,1H3
InChIKeyMRGJCHLRXSVQHA-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574
1-(2-chloro-3-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105178944
N-ethyl-1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-amine
CID 105136068
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105190483
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
1-(2-fluorophenyl)-N-propyl-4-pyridin-2-ylbutan-2-amine
CID 105090087
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 62600577
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine (CID 105087681) is 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine is CCNC(CCc1ccccn1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
The InChIKey is MRGJCHLRXSVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-19-16(11-10-15-8-5-6-12-20-15)13-14-7-3-4-9-17(14)18/h3-9,12,16,19H,2,10-11,13H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine?
1-(2-bromophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine has a molecular weight of 333.27 g/mol, XLogP of 4.00, 7 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-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105087681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).