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

C16H18BrClN2 — CID 105181723

IUPAC1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C16H18BrClN2/c1-19-15(7-4-12-3-2-8-20-11-12)9-13-5-6-14(17)10-16(13)18/h2-3,5-6,8,10-11,15,19H,4,7,9H2,1H3
InChIKeyFSJFJFHZMLGPPC-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.26
Rot. Bonds6

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

1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105181723) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105181723
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cccnc1)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C16H18BrClN2/c1-19-15(7-4-12-3-2-8-20-11-12)9-13-5-6-14(17)10-16(13)18/h2-3,5-6,8,10-11,15,19H,4,7,9H2,1H3
InChIKeyFSJFJFHZMLGPPC-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2-bromo-5-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105136731
1-(3-bromo-4-fluorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105111510
1-(3-chloro-4-pyridinyl)-N-methyl-4-pyridin-4-ylbutan-2-amine
CID 105157330
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
[1-(2,5-dichlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105309892
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine (CID 105181723) is 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine is CNC(CCc1cccnc1)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is FSJFJFHZMLGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-19-15(7-4-12-3-2-8-20-11-12)9-13-5-6-14(17)10-16(13)18/h2-3,5-6,8,10-11,15,19H,4,7,9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine?
1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 353.69 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105181723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).