N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine

C19H17BrN2 — CID 3092272

IUPACN-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine
SMILESBrc1ccc(C(Cc2ccccc2)Nc2ccccn2)cc1
InChIInChI=1S/C19H17BrN2/c20-17-11-9-16(10-12-17)18(14-15-6-2-1-3-7-15)22-19-8-4-5-13-21-19/h1-13,18H,14H2,(H,21,22)
InChIKeyVZNPIWOMLCGZJN-UHFFFAOYSA-N
MW353.26 g/mol
LogP5.24
Rot. Bonds5

About N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine

N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine (PubChem CID 3092272) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine
PubChem CID3092272
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC NameN-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine
SMILESBrc1ccc(C(Cc2ccccc2)Nc2ccccn2)cc1
InChIInChI=1S/C19H17BrN2/c20-17-11-9-16(10-12-17)18(14-15-6-2-1-3-7-15)22-19-8-4-5-13-21-19/h1-13,18H,14H2,(H,21,22)
InChIKeyVZNPIWOMLCGZJN-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine (CID 3092272) is N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine is Brc1ccc(C(Cc2ccccc2)Nc2ccccn2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine?
The InChIKey is VZNPIWOMLCGZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2/c20-17-11-9-16(10-12-17)18(14-15-6-2-1-3-7-15)22-19-8-4-5-13-21-19/h1-13,18H,14H2,(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine?
N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine has a molecular weight of 353.26 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 3092272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).