5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine

C14H14BrClN2 — CID 79718663

IUPAC5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1Nc1ccccc1C(C)Cl
InChIInChI=1S/C14H14BrClN2/c1-9-7-11(15)8-17-14(9)18-13-6-4-3-5-12(13)10(2)16/h3-8,10H,1-2H3,(H,17,18)
InChIKeyQTSBLPNFQJWUTE-UHFFFAOYSA-N
MW325.64 g/mol
LogP5.20
Rot. Bonds3

About 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine (PubChem CID 79718663) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine
PubChem CID79718663
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1Nc1ccccc1C(C)Cl
InChIInChI=1S/C14H14BrClN2/c1-9-7-11(15)8-17-14(9)18-13-6-4-3-5-12(13)10(2)16/h3-8,10H,1-2H3,(H,17,18)
InChIKeyQTSBLPNFQJWUTE-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 53410205
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
3-bromo-4-methyl-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 104506309
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
5-bromo-3-methyl-N-pyrrol-1-ylpyridin-2-amine
CID 79717901
N-[2-(1-chloroethyl)phenyl]furo[3,2-c]pyridin-4-amine
CID 106535673
5-bromo-3-methyl-N-(3-methylthiophen-2-yl)pyridin-2-amine
CID 115148473
5-bromo-N-(4-methoxy-2,3,5-trimethylphenyl)-3-methylpyridin-2-amine
CID 115148429
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-3-chloropyridin-2-amine
CID 103583373
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine (CID 79718663) is 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine is Cc1cc(Br)cnc1Nc1ccccc1C(C)Cl.
What is the InChIKey of 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine?
The InChIKey is QTSBLPNFQJWUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-9-7-11(15)8-17-14(9)18-13-6-4-3-5-12(13)10(2)16/h3-8,10H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-chloroethyl)phenyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 79718663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).