1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine

C16H16ClFIN — CID 82806392

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFIN/c1-20-14(9-11-5-7-13(19)8-6-11)10-12-3-2-4-15(17)16(12)18/h2-8,14,20H,9-10H2,1H3
InChIKeyQWJNXIHJAVCUGR-UHFFFAOYSA-N
MW403.67 g/mol
LogP4.46
Rot. Bonds5

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

1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine (PubChem CID 82806392) has the molecular formula C16H16ClFIN and a molecular weight of 403.67 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
PubChem CID82806392
Molecular FormulaC16H16ClFIN
Molecular Weight403.67 g/mol
Exact Mass403.00
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFIN/c1-20-14(9-11-5-7-13(19)8-6-11)10-12-3-2-4-15(17)16(12)18/h2-8,14,20H,9-10H2,1H3
InChIKeyQWJNXIHJAVCUGR-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.67
LogP ≤ 54.46
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-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
CID 82805672
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310
1-(3-chloro-2-fluorophenyl)-N-methylheptan-2-amine
CID 82805674
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine (CID 82806392) is 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
The InChIKey is QWJNXIHJAVCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFIN/c1-20-14(9-11-5-7-13(19)8-6-11)10-12-3-2-4-15(17)16(12)18/h2-8,14,20H,9-10H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine has a molecular weight of 403.67 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 82806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).