1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine

C15H14ClFIN — CID 82805672

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
SMILESNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFIN/c16-14-3-1-2-11(15(14)17)9-13(19)8-10-4-6-12(18)7-5-10/h1-7,13H,8-9,19H2
InChIKeyAJGQDBMDLXEGGV-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.20
Rot. Bonds4

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

1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine (PubChem CID 82805672) has the molecular formula C15H14ClFIN and a molecular weight of 389.64 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
PubChem CID82805672
Molecular FormulaC15H14ClFIN
Molecular Weight389.64 g/mol
Exact Mass388.98
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
SMILESNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H14ClFIN/c16-14-3-1-2-11(15(14)17)9-13(19)8-10-4-6-12(18)7-5-10/h1-7,13H,8-9,19H2
InChIKeyAJGQDBMDLXEGGV-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 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 ≤ 54.20
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)-2-(4-iodophenyl)ethanamine
CID 65479346
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 102857603
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine (CID 82805672) is 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine is NC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine?
The InChIKey is AJGQDBMDLXEGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN/c16-14-3-1-2-11(15(14)17)9-13(19)8-10-4-6-12(18)7-5-10/h1-7,13H,8-9,19H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine has a molecular weight of 389.64 g/mol, XLogP of 4.20, 4 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)propan-2-amine is sourced from PubChem (CID 82805672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).