2-bromo-5-iodo-N-(2-phenylethyl)aniline

C14H13BrIN — CID 114258923

IUPAC2-bromo-5-iodo-N-(2-phenylethyl)aniline
SMILESBrc1ccc(I)cc1NCCc1ccccc1
InChIInChI=1S/C14H13BrIN/c15-13-7-6-12(16)10-14(13)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyPORUCLWVYAAUJP-UHFFFAOYSA-N
MW402.07 g/mol
LogP4.71
Rot. Bonds4

About 2-bromo-5-iodo-N-(2-phenylethyl)aniline

2-bromo-5-iodo-N-(2-phenylethyl)aniline (PubChem CID 114258923) has the molecular formula C14H13BrIN and a molecular weight of 402.07 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(2-phenylethyl)aniline
PubChem CID114258923
Molecular FormulaC14H13BrIN
Molecular Weight402.07 g/mol
Exact Mass400.93
IUPAC Name2-bromo-5-iodo-N-(2-phenylethyl)aniline
SMILESBrc1ccc(I)cc1NCCc1ccccc1
InChIInChI=1S/C14H13BrIN/c15-13-7-6-12(16)10-14(13)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyPORUCLWVYAAUJP-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.07
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methyl-N-(2-phenylethyl)aniline
CID 43227953
2-bromo-5-iodo-N-(2-methoxyethyl)aniline
CID 126975654
4-bromo-2,3-dichloro-N-(2-phenylethyl)aniline
CID 114001623
2-bromo-N-ethyl-5-iodoaniline
CID 130498441
3-bromo-2-methyl-N-(2-phenylethyl)aniline
CID 107629722
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
2-bromo-N-(3-ethylsulfonylpropyl)-5-iodoaniline
CID 113356624
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
2-bromo-4-nitro-N-(2-phenylethyl)aniline
CID 2767749
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-5-iodoaniline
CID 114258758
(2-bromo-5-iodophenyl)hydrazine
CID 130164634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(2-phenylethyl)aniline?
The IUPAC name of 2-bromo-5-iodo-N-(2-phenylethyl)aniline (CID 114258923) is 2-bromo-5-iodo-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-bromo-5-iodo-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-bromo-5-iodo-N-(2-phenylethyl)aniline is Brc1ccc(I)cc1NCCc1ccccc1.
What is the InChIKey of 2-bromo-5-iodo-N-(2-phenylethyl)aniline?
The InChIKey is PORUCLWVYAAUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrIN/c15-13-7-6-12(16)10-14(13)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 2-bromo-5-iodo-N-(2-phenylethyl)aniline?
2-bromo-5-iodo-N-(2-phenylethyl)aniline has a molecular weight of 402.07 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(2-phenylethyl)aniline is sourced from PubChem (CID 114258923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).