2-bromo-N-but-3-en-2-yl-4-iodoaniline

C10H11BrIN — CID 130499100

IUPAC2-bromo-N-but-3-en-2-yl-4-iodoaniline
SMILESC=CC(C)Nc1ccc(I)cc1Br
InChIInChI=1S/C10H11BrIN/c1-3-7(2)13-10-5-4-8(12)6-9(10)11/h3-7,13H,1H2,2H3
InChIKeyGOHNGJFZUJZHGP-UHFFFAOYSA-N
MW352.01 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-N-but-3-en-2-yl-4-iodoaniline

2-bromo-N-but-3-en-2-yl-4-iodoaniline (PubChem CID 130499100) has the molecular formula C10H11BrIN and a molecular weight of 352.01 g/mol. Its IUPAC name is 2-bromo-N-but-3-en-2-yl-4-iodoaniline.

Molecular Properties

Compound Name2-bromo-N-but-3-en-2-yl-4-iodoaniline
PubChem CID130499100
Molecular FormulaC10H11BrIN
Molecular Weight352.01 g/mol
Exact Mass350.91
IUPAC Name2-bromo-N-but-3-en-2-yl-4-iodoaniline
SMILESC=CC(C)Nc1ccc(I)cc1Br
InChIInChI=1S/C10H11BrIN/c1-3-7(2)13-10-5-4-8(12)6-9(10)11/h3-7,13H,1H2,2H3
InChIKeyGOHNGJFZUJZHGP-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.01
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-but-3-en-2-yl-4-fluoroaniline
CID 107906501
4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline
CID 107908489
N-but-3-en-2-yl-3-iodoaniline
CID 107906518
1-(2-bromo-4-iodoanilino)propan-2-ol
CID 126975658
5-bromo-2-(but-3-en-2-ylamino)benzonitrile
CID 114890873
2-bromo-5-iodo-N-propan-2-ylaniline
CID 126975603
2,4-dibromo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780861
5-bromo-N-but-3-en-2-yl-4-fluoro-2-nitroaniline
CID 116737336
4-bromo-2-(but-3-en-2-ylamino)benzoic acid
CID 114907517
N-but-3-en-2-yl-4-methoxy-2-methylaniline
CID 107906934
N-but-3-en-2-yl-2-methylaniline
CID 14765790
N-but-3-en-2-yl-5-chloro-2-methylaniline
CID 107906214

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-but-3-en-2-yl-4-iodoaniline?
The IUPAC name of 2-bromo-N-but-3-en-2-yl-4-iodoaniline (CID 130499100) is 2-bromo-N-but-3-en-2-yl-4-iodoaniline.
What is the SMILES notation for 2-bromo-N-but-3-en-2-yl-4-iodoaniline?
The canonical SMILES for 2-bromo-N-but-3-en-2-yl-4-iodoaniline is C=CC(C)Nc1ccc(I)cc1Br.
What is the InChIKey of 2-bromo-N-but-3-en-2-yl-4-iodoaniline?
The InChIKey is GOHNGJFZUJZHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrIN/c1-3-7(2)13-10-5-4-8(12)6-9(10)11/h3-7,13H,1H2,2H3.
What are the key properties of 2-bromo-N-but-3-en-2-yl-4-iodoaniline?
2-bromo-N-but-3-en-2-yl-4-iodoaniline has a molecular weight of 352.01 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-but-3-en-2-yl-4-iodoaniline is sourced from PubChem (CID 130499100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).