1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine

C14H15IN2 — CID 66447741

IUPAC1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCC(c1ccncc1)C(N)c1cccc(I)c1
InChIInChI=1S/C14H15IN2/c1-10(11-5-7-17-8-6-11)14(16)12-3-2-4-13(15)9-12/h2-10,14H,16H2,1H3
InChIKeyILZJMKTVYFKSHH-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine

1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66447741) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66447741
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCC(c1ccncc1)C(N)c1cccc(I)c1
InChIInChI=1S/C14H15IN2/c1-10(11-5-7-17-8-6-11)14(16)12-3-2-4-13(15)9-12/h2-10,14H,16H2,1H3
InChIKeyILZJMKTVYFKSHH-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66460565
2-phenyl-1-pyridin-4-ylpropan-1-amine
CID 22301590
1-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylpropan-1-amine
CID 66448702
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446566
1-(difluoromethyl)-3-iodobenzene
CID 46311736
1-(furan-3-yl)-2-pyridin-4-ylpropan-1-amine
CID 66446369
1-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446948
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
1-(3-bromo-2-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448707
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine (CID 66447741) is 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine is CC(c1ccncc1)C(N)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is ILZJMKTVYFKSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c1-10(11-5-7-17-8-6-11)14(16)12-3-2-4-13(15)9-12/h2-10,14H,16H2,1H3.
What are the key properties of 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine?
1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 338.19 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66447741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).