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

C14H15IN2 — CID 65476489

IUPAC1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
SMILESNC(Cc1ccncc1)Cc1ccc(I)cc1
InChIInChI=1S/C14H15IN2/c15-13-3-1-11(2-4-13)9-14(16)10-12-5-7-17-8-6-12/h1-8,14H,9-10,16H2
InChIKeyJSNWIDAQRLMFOA-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.80
Rot. Bonds4

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

1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine (PubChem CID 65476489) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
PubChem CID65476489
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
SMILESNC(Cc1ccncc1)Cc1ccc(I)cc1
InChIInChI=1S/C14H15IN2/c15-13-3-1-11(2-4-13)9-14(16)10-12-5-7-17-8-6-12/h1-8,14H,9-10,16H2
InChIKeyJSNWIDAQRLMFOA-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.80
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-[(4-iodophenyl)methyl]pyridine
CID 14743030
[2-(4-iodophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 105196467
1-pyridin-4-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642945
1-(4-iodophenyl)pentan-2-amine
CID 65478921
1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
CID 105151939
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
1-pyridin-4-ylhex-5-yn-2-amine
CID 63642414
4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
CID 105160708
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine (CID 65476489) is 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine is NC(Cc1ccncc1)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine?
The InChIKey is JSNWIDAQRLMFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2/c15-13-3-1-11(2-4-13)9-14(16)10-12-5-7-17-8-6-12/h1-8,14H,9-10,16H2.
What are the key properties of 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine?
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine has a molecular weight of 338.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 65476489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).