1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine

C14H14BrClN2 — CID 114027773

IUPAC1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H14BrClN2/c1-9-3-2-6-18-14(9)8-13(17)11-7-10(16)4-5-12(11)15/h2-7,13H,8,17H2,1H3
InChIKeySFGSVXGBYXDGGL-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine

1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 114027773) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID114027773
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H14BrClN2/c1-9-3-2-6-18-14(9)8-13(17)11-7-10(16)4-5-12(11)15/h2-7,13H,8,17H2,1H3
InChIKeySFGSVXGBYXDGGL-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(4-bromo-2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 115369502
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228
1-(3,4-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447248
1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446478
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
(2R)-2-(5-chloro-2-methylphenyl)-N-methyl-3-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410342
(1R)-1-(2-bromo-5-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 131294993
2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
CID 114026722
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66449000

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 114027773) is 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is Cc1cccnc1CC(N)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is SFGSVXGBYXDGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-9-3-2-6-18-14(9)8-13(17)11-7-10(16)4-5-12(11)15/h2-7,13H,8,17H2,1H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 325.64 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 114027773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).