1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine

C16H19BrN2 — CID 105087512

IUPAC1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-18-15(9-8-13-5-4-10-19-12-13)11-14-6-2-3-7-16(14)17/h2-7,10,12,15,18H,8-9,11H2,1H3
InChIKeyCNEHTMZVTZQZGJ-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.61
Rot. Bonds6

About 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine

1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105087512) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105087512
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-18-15(9-8-13-5-4-10-19-12-13)11-14-6-2-3-7-16(14)17/h2-7,10,12,15,18H,8-9,11H2,1H3
InChIKeyCNEHTMZVTZQZGJ-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105136731
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105181723
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105111510
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62553405
[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105296709
N-methyl-1-pyridin-3-ylhept-6-en-3-amine
CID 105153411
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105139608
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine (CID 105087512) is 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine is CNC(CCc1cccnc1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is CNEHTMZVTZQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-18-15(9-8-13-5-4-10-19-12-13)11-14-6-2-3-7-16(14)17/h2-7,10,12,15,18H,8-9,11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 319.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).