1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine

C15H14ClFIN — CID 103214634

IUPAC1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H14ClFIN/c1-19-15(8-10-3-2-4-12(17)7-10)11-5-6-14(18)13(16)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyQUJPODKREFGNLS-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.59
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine

1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 103214634) has the molecular formula C15H14ClFIN and a molecular weight of 389.64 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID103214634
Molecular FormulaC15H14ClFIN
Molecular Weight389.64 g/mol
Exact Mass388.98
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H14ClFIN/c1-19-15(8-10-3-2-4-12(17)7-10)11-5-6-14(18)13(16)9-11/h2-7,9,15,19H,8H2,1H3
InChIKeyQUJPODKREFGNLS-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.64
LogP ≤ 54.59
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-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 103214822
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
1-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61064519
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214776
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
[1-(3-chloro-4-iodophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 103217368

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 103214634) is 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is QUJPODKREFGNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN/c1-19-15(8-10-3-2-4-12(17)7-10)11-5-6-14(18)13(16)9-11/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 389.64 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 103214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).