N-[(2-iodophenyl)methyl]butan-1-amine

C11H16IN — CID 14973231

IUPACN-[(2-iodophenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccccc1I
InChIInChI=1S/C11H16IN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyCVWOIWHOCIVOBN-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.18
Rot. Bonds5

About N-[(2-iodophenyl)methyl]butan-1-amine

N-[(2-iodophenyl)methyl]butan-1-amine (PubChem CID 14973231) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[(2-iodophenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-iodophenyl)methyl]butan-1-amine
PubChem CID14973231
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC NameN-[(2-iodophenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccccc1I
InChIInChI=1S/C11H16IN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyCVWOIWHOCIVOBN-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methyl]butan-1-amine?
The IUPAC name of N-[(2-iodophenyl)methyl]butan-1-amine (CID 14973231) is N-[(2-iodophenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-iodophenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-iodophenyl)methyl]butan-1-amine is CCCCNCc1ccccc1I.
What is the InChIKey of N-[(2-iodophenyl)methyl]butan-1-amine?
The InChIKey is CVWOIWHOCIVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of N-[(2-iodophenyl)methyl]butan-1-amine?
N-[(2-iodophenyl)methyl]butan-1-amine has a molecular weight of 289.16 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methyl]butan-1-amine is sourced from PubChem (CID 14973231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).