5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine

C14H14BrClN2 — CID 104531747

IUPAC5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
SMILESCC(c1ccccc1Cl)N(C)c1cncc(Br)c1
InChIInChI=1S/C14H14BrClN2/c1-10(13-5-3-4-6-14(13)16)18(2)12-7-11(15)8-17-9-12/h3-10H,1-2H3
InChIKeyCUTQKGAYAKQJQO-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.69
Rot. Bonds3

About 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine

5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine (PubChem CID 104531747) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
PubChem CID104531747
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
SMILESCC(c1ccccc1Cl)N(C)c1cncc(Br)c1
InChIInChI=1S/C14H14BrClN2/c1-10(13-5-3-4-6-14(13)16)18(2)12-7-11(15)8-17-9-12/h3-10H,1-2H3
InChIKeyCUTQKGAYAKQJQO-UHFFFAOYSA-N
XLogP4.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122536
4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 78935522
4-[(1S)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 63369336
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
5-bromo-N-methyl-N-pentan-2-ylpyridin-3-amine
CID 115657067
2-amino-5-[1-(2-chlorophenyl)ethyl-methylamino]benzoic acid
CID 62979439
5-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 115488566
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
5-bromo-2-[1-(2-chlorophenyl)ethyl-methylamino]benzenecarbothioamide
CID 114891742
4-[1-(2-chlorophenyl)ethyl-methylamino]pyridine-2-carbothioamide
CID 62984337
3,5-dichloro-6-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
The IUPAC name of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine (CID 104531747) is 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine is CC(c1ccccc1Cl)N(C)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
The InChIKey is CUTQKGAYAKQJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-10(13-5-3-4-6-14(13)16)18(2)12-7-11(15)8-17-9-12/h3-10H,1-2H3.
What are the key properties of 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine?
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine has a molecular weight of 325.64 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 104531747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).