N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

C12H15BrN2 — CID 79507396

IUPACN-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESBrc1ccccc1CNC1=NCCCC1
InChIInChI=1S/C12H15BrN2/c13-11-6-2-1-5-10(11)9-15-12-7-3-4-8-14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyFIRPFFSRENJGDN-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.12
Rot. Bonds2

About N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79507396) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79507396
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC NameN-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESBrc1ccccc1CNC1=NCCCC1
InChIInChI=1S/C12H15BrN2/c13-11-6-2-1-5-10(11)9-15-12-7-3-4-8-14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyFIRPFFSRENJGDN-UHFFFAOYSA-N
XLogP3.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 79507396) is N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is Brc1ccccc1CNC1=NCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is FIRPFFSRENJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-11-6-2-1-5-10(11)9-15-12-7-3-4-8-14-12/h1-2,5-6H,3-4,7-9H2,(H,14,15).
What are the key properties of N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 267.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79507396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).