2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine

C14H11Cl2FIN — CID 103216603

IUPAC2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11Cl2FIN/c15-10-2-3-12(17)9(5-10)7-14(19)8-1-4-13(18)11(16)6-8/h1-6,14H,7,19H2
InChIKeyNMAWJWKTFKYRTM-UHFFFAOYSA-N
MW410.06 g/mol
LogP4.98
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine

2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine (PubChem CID 103216603) has the molecular formula C14H11Cl2FIN and a molecular weight of 410.06 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
PubChem CID103216603
Molecular FormulaC14H11Cl2FIN
Molecular Weight410.06 g/mol
Exact Mass408.93
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11Cl2FIN/c15-10-2-3-12(17)9(5-10)7-14(19)8-1-4-13(18)11(16)6-8/h1-6,14H,7,19H2
InChIKeyNMAWJWKTFKYRTM-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.06
LogP ≤ 54.98
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

1-(3-chloro-4-iodophenyl)-2-(3,4-difluorophenyl)ethanamine
CID 103216088
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
2-(2-bromophenyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103214557
2-(5-chloro-2-fluorophenyl)-1-quinoxalin-6-ylethanamine
CID 103048688
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine (CID 103216603) is 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine is NC(Cc1cc(Cl)ccc1F)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
The InChIKey is NMAWJWKTFKYRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FIN/c15-10-2-3-12(17)9(5-10)7-14(19)8-1-4-13(18)11(16)6-8/h1-6,14H,7,19H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine has a molecular weight of 410.06 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(3-chloro-4-iodophenyl)ethanamine is sourced from PubChem (CID 103216603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).