2-iodo-N-(3-phenylcyclobutyl)aniline

C16H16IN — CID 43632290

IUPAC2-iodo-N-(3-phenylcyclobutyl)aniline
SMILESIc1ccccc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C16H16IN/c17-15-8-4-5-9-16(15)18-14-10-13(11-14)12-6-2-1-3-7-12/h1-9,13-14,18H,10-11H2
InChIKeyRZBFDLDFAWCLEK-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.65
Rot. Bonds3

About 2-iodo-N-(3-phenylcyclobutyl)aniline

2-iodo-N-(3-phenylcyclobutyl)aniline (PubChem CID 43632290) has the molecular formula C16H16IN and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-iodo-N-(3-phenylcyclobutyl)aniline.

Molecular Properties

Compound Name2-iodo-N-(3-phenylcyclobutyl)aniline
PubChem CID43632290
Molecular FormulaC16H16IN
Molecular Weight349.22 g/mol
Exact Mass349.03
IUPAC Name2-iodo-N-(3-phenylcyclobutyl)aniline
SMILESIc1ccccc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C16H16IN/c17-15-8-4-5-9-16(15)18-14-10-13(11-14)12-6-2-1-3-7-12/h1-9,13-14,18H,10-11H2
InChIKeyRZBFDLDFAWCLEK-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-phenylcyclobutyl)aniline?
The IUPAC name of 2-iodo-N-(3-phenylcyclobutyl)aniline (CID 43632290) is 2-iodo-N-(3-phenylcyclobutyl)aniline.
What is the SMILES notation for 2-iodo-N-(3-phenylcyclobutyl)aniline?
The canonical SMILES for 2-iodo-N-(3-phenylcyclobutyl)aniline is Ic1ccccc1NC1CC(c2ccccc2)C1.
What is the InChIKey of 2-iodo-N-(3-phenylcyclobutyl)aniline?
The InChIKey is RZBFDLDFAWCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN/c17-15-8-4-5-9-16(15)18-14-10-13(11-14)12-6-2-1-3-7-12/h1-9,13-14,18H,10-11H2.
What are the key properties of 2-iodo-N-(3-phenylcyclobutyl)aniline?
2-iodo-N-(3-phenylcyclobutyl)aniline has a molecular weight of 349.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(3-phenylcyclobutyl)aniline is sourced from PubChem (CID 43632290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).