2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine

C14H22IN — CID 65491899

IUPAC2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-4-9-14(2,11-16-3)10-12-5-7-13(15)8-6-12/h5-8,16H,4,9-11H2,1-3H3
InChIKeyUAGCGXISNIYJEW-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.86
Rot. Bonds6

About 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine

2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 65491899) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID65491899
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC Name2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-4-9-14(2,11-16-3)10-12-5-7-13(15)8-6-12/h5-8,16H,4,9-11H2,1-3H3
InChIKeyUAGCGXISNIYJEW-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.86
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

N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 83182602
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 55194901
N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63509074
N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014491
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
1-(4-iodophenyl)-2-phenylpentan-2-amine
CID 65476853

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine (CID 65491899) is 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)Cc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is UAGCGXISNIYJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-4-9-14(2,11-16-3)10-12-5-7-13(15)8-6-12/h5-8,16H,4,9-11H2,1-3H3.
What are the key properties of 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine?
2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 65491899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).