2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine

C16H17FIN — CID 65479163

IUPAC2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C16H17FIN/c17-15-5-1-12(2-6-15)9-14(11-19)10-13-3-7-16(18)8-4-13/h1-8,14H,9-11,19H2
InChIKeyVQLZSHFYGBBZRS-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.79
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine

2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine (PubChem CID 65479163) has the molecular formula C16H17FIN and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
PubChem CID65479163
Molecular FormulaC16H17FIN
Molecular Weight369.22 g/mol
Exact Mass369.04
IUPAC Name2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C16H17FIN/c17-15-5-1-12(2-6-15)9-14(11-19)10-13-3-7-16(18)8-4-13/h1-8,14H,9-11,19H2
InChIKeyVQLZSHFYGBBZRS-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.79
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-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62529583
1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
CID 55224826
2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine
CID 103984184
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236
1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
CID 79452753
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
CID 79440307
2-[(4-fluorophenyl)methyl]-4-phenoxybutan-1-amine
CID 62528582
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine (CID 65479163) is 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1)Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
The InChIKey is VQLZSHFYGBBZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FIN/c17-15-5-1-12(2-6-15)9-14(11-19)10-13-3-7-16(18)8-4-13/h1-8,14H,9-11,19H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine?
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine has a molecular weight of 369.22 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine is sourced from PubChem (CID 65479163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).