1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C17H21IN2 — CID 66446199

IUPAC1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccc(I)cc1)C(C)c1ccncc1
InChIInChI=1S/C17H21IN2/c1-3-10-20-17(15-4-6-16(18)7-5-15)13(2)14-8-11-19-12-9-14/h4-9,11-13,17,20H,3,10H2,1-2H3
InChIKeyKEANRNAVSFAMNJ-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.53
Rot. Bonds6

About 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66446199) has the molecular formula C17H21IN2 and a molecular weight of 380.27 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66446199
Molecular FormulaC17H21IN2
Molecular Weight380.27 g/mol
Exact Mass380.07
IUPAC Name1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1ccc(I)cc1)C(C)c1ccncc1
InChIInChI=1S/C17H21IN2/c1-3-10-20-17(15-4-6-16(18)7-5-15)13(2)14-8-11-19-12-9-14/h4-9,11-13,17,20H,3,10H2,1-2H3
InChIKeyKEANRNAVSFAMNJ-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 83154837
1-cyclopropyl-N-propyl-3-pyridin-4-ylbutan-2-amine
CID 66447180

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 66446199) is 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1ccc(I)cc1)C(C)c1ccncc1.
What is the InChIKey of 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is KEANRNAVSFAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2/c1-3-10-20-17(15-4-6-16(18)7-5-15)13(2)14-8-11-19-12-9-14/h4-9,11-13,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 380.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66446199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).