2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine

C14H12BrClIN — CID 103214557

IUPAC2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
SMILESNC(Cc1ccccc1Br)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H12BrClIN/c15-11-4-2-1-3-9(11)8-14(18)10-5-6-13(17)12(16)7-10/h1-7,14H,8,18H2
InChIKeyJNMKYMLMSJVGJC-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.95
Rot. Bonds3

About 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine

2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine (PubChem CID 103214557) has the molecular formula C14H12BrClIN and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
PubChem CID103214557
Molecular FormulaC14H12BrClIN
Molecular Weight436.52 g/mol
Exact Mass434.89
IUPAC Name2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
SMILESNC(Cc1ccccc1Br)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H12BrClIN/c15-11-4-2-1-3-9(11)8-14(18)10-5-6-13(17)12(16)7-10/h1-7,14H,8,18H2
InChIKeyJNMKYMLMSJVGJC-UHFFFAOYSA-N
XLogP4.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.95
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

2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216603
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
CID 103216088
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
CID 63527360
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103215560
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine (CID 103214557) is 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine is NC(Cc1ccccc1Br)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The InChIKey is JNMKYMLMSJVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClIN/c15-11-4-2-1-3-9(11)8-14(18)10-5-6-13(17)12(16)7-10/h1-7,14H,8,18H2.
What are the key properties of 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine has a molecular weight of 436.52 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine is sourced from PubChem (CID 103214557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).