4-iodo-N-(3-propan-2-ylcyclobutyl)aniline

C13H18IN — CID 103560994

IUPAC4-iodo-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2ccc(I)cc2)C1
InChIInChI=1S/C13H18IN/c1-9(2)10-7-13(8-10)15-12-5-3-11(14)4-6-12/h3-6,9-10,13,15H,7-8H2,1-2H3
InChIKeyGIIUUMKXXHVADP-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.14
Rot. Bonds3

About 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline

4-iodo-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103560994) has the molecular formula C13H18IN and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name4-iodo-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103560994
Molecular FormulaC13H18IN
Molecular Weight315.20 g/mol
Exact Mass315.05
IUPAC Name4-iodo-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCC(C)C1CC(Nc2ccc(I)cc2)C1
InChIInChI=1S/C13H18IN/c1-9(2)10-7-13(8-10)15-12-5-3-11(14)4-6-12/h3-6,9-10,13,15H,7-8H2,1-2H3
InChIKeyGIIUUMKXXHVADP-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline 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

N-(3-propan-2-ylcyclobutyl)-4-pyrrolidin-1-ylaniline
CID 103561450
N-methyl-2-[4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561305
4-fluoro-N-(3-propan-2-ylcyclobutyl)-3-(trifluoromethyl)aniline
CID 103561769
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
2-[4-[(3-propan-2-ylcyclobutyl)amino]phenoxy]acetamide
CID 103561296
4-iodo-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43635039
3,5-dimethoxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560756
1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine
CID 163863356
N-(3-methylcyclobutyl)-4-propan-2-yloxyaniline
CID 104860033
N-[2-methyl-4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561080
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
CID 103561131

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline (CID 103560994) is 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline is CC(C)C1CC(Nc2ccc(I)cc2)C1.
What is the InChIKey of 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is GIIUUMKXXHVADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN/c1-9(2)10-7-13(8-10)15-12-5-3-11(14)4-6-12/h3-6,9-10,13,15H,7-8H2,1-2H3.
What are the key properties of 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline?
4-iodo-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 315.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103560994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).