2-(1,1-dibromo-2-phenylethyl)aniline

C14H13Br2N — CID 162350796

IUPAC2-(1,1-dibromo-2-phenylethyl)aniline
SMILESNc1ccccc1C(Br)(Br)Cc1ccccc1
InChIInChI=1S/C14H13Br2N/c15-14(16,10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17/h1-9H,10,17H2
InChIKeyJCCFFBUODQRFIR-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.45
Rot. Bonds3

About 2-(1,1-dibromo-2-phenylethyl)aniline

2-(1,1-dibromo-2-phenylethyl)aniline (PubChem CID 162350796) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 2-(1,1-dibromo-2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(1,1-dibromo-2-phenylethyl)aniline
PubChem CID162350796
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name2-(1,1-dibromo-2-phenylethyl)aniline
SMILESNc1ccccc1C(Br)(Br)Cc1ccccc1
InChIInChI=1S/C14H13Br2N/c15-14(16,10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17/h1-9H,10,17H2
InChIKeyJCCFFBUODQRFIR-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-aminophenyl)-1,3-diphenylpropan-2-yl]aniline
CID 23349378
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
2-tert-butylaniline
CID 159041627
4-benzylhepta-1,6-dien-4-amine
CID 15310873
2-[2-(2-aminophenyl)butan-2-yl]aniline
CID 139712406
3-(2-aminophenyl)-3-methylbutane-2-thiol
CID 115020412
2-(2,4,4-trimethylpentan-2-yl)aniline
CID 67789986
1-(2-aminophenyl)propane-1,1-diol
CID 67410259
2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline
CID 117048235
2-[difluoro(iodo)methyl]aniline
CID 167085187
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dibromo-2-phenylethyl)aniline?
The IUPAC name of 2-(1,1-dibromo-2-phenylethyl)aniline (CID 162350796) is 2-(1,1-dibromo-2-phenylethyl)aniline.
What is the SMILES notation for 2-(1,1-dibromo-2-phenylethyl)aniline?
The canonical SMILES for 2-(1,1-dibromo-2-phenylethyl)aniline is Nc1ccccc1C(Br)(Br)Cc1ccccc1.
What is the InChIKey of 2-(1,1-dibromo-2-phenylethyl)aniline?
The InChIKey is JCCFFBUODQRFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c15-14(16,10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17/h1-9H,10,17H2.
What are the key properties of 2-(1,1-dibromo-2-phenylethyl)aniline?
2-(1,1-dibromo-2-phenylethyl)aniline has a molecular weight of 355.07 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dibromo-2-phenylethyl)aniline is sourced from PubChem (CID 162350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).