4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline

C19H17BrN2 — CID 14948548

IUPAC4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H17BrN2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,21-22H2
InChIKeyBBTBCCLVBKFRRI-UHFFFAOYSA-N
MW353.26 g/mol
LogP4.79
Rot. Bonds3

About 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline

4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline (PubChem CID 14948548) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline
PubChem CID14948548
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC Name4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H17BrN2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,21-22H2
InChIKeyBBTBCCLVBKFRRI-UHFFFAOYSA-N
XLogP4.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline (CID 14948548) is 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline is Nc1ccc(C(c2ccc(N)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline?
The InChIKey is BBTBCCLVBKFRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,21-22H2.
What are the key properties of 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline?
4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline has a molecular weight of 353.26 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-(4-bromophenyl)methyl]aniline is sourced from PubChem (CID 14948548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).