5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine

C13H20INO — CID 107319994

IUPAC5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
SMILESCOc1ccc(CNCCCCCI)cc1
InChIInChI=1S/C13H20INO/c1-16-13-7-5-12(6-8-13)11-15-10-4-2-3-9-14/h5-8,15H,2-4,9-11H2,1H3
InChIKeyUTRAQWBGHQTEGY-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.39
Rot. Bonds8

About 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine

5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine (PubChem CID 107319994) has the molecular formula C13H20INO and a molecular weight of 333.21 g/mol. Its IUPAC name is 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
PubChem CID107319994
Molecular FormulaC13H20INO
Molecular Weight333.21 g/mol
Exact Mass333.06
IUPAC Name5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
SMILESCOc1ccc(CNCCCCCI)cc1
InChIInChI=1S/C13H20INO/c1-16-13-7-5-12(6-8-13)11-15-10-4-2-3-9-14/h5-8,15H,2-4,9-11H2,1H3
InChIKeyUTRAQWBGHQTEGY-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-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

2-[6-[(4-methoxyphenyl)methylamino]hexylamino]ethanol
CID 22006364
6-iodo-N-[(4-methylphenyl)methyl]hexan-1-amine
CID 107844979
4-iodo-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 106844685
5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
CID 107319983
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
5-[(4-methoxyphenyl)methylamino]pentan-2-one
CID 115236436
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
The IUPAC name of 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine (CID 107319994) is 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine is COc1ccc(CNCCCCCI)cc1.
What is the InChIKey of 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
The InChIKey is UTRAQWBGHQTEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO/c1-16-13-7-5-12(6-8-13)11-15-10-4-2-3-9-14/h5-8,15H,2-4,9-11H2,1H3.
What are the key properties of 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine?
5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine has a molecular weight of 333.21 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 107319994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).