4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline

C12H16IN — CID 103561331

IUPAC4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
SMILESCc1cc(I)ccc1NC1CC(C)C1
InChIInChI=1S/C12H16IN/c1-8-5-11(6-8)14-12-4-3-10(13)7-9(12)2/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyWFULNUJWABSJBO-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.81
Rot. Bonds2

About 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline

4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline (PubChem CID 103561331) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
PubChem CID103561331
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC Name4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
SMILESCc1cc(I)ccc1NC1CC(C)C1
InChIInChI=1S/C12H16IN/c1-8-5-11(6-8)14-12-4-3-10(13)7-9(12)2/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyWFULNUJWABSJBO-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.81
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-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
CID 64750853
N-[3-(4-chlorophenyl)cyclobutyl]-4-iodo-2-methylaniline
CID 43717158
N-(4-iodo-2-methylphenyl)thian-4-amine
CID 43717183
N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
CID 64594666
3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
CID 103561285
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64752605
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
methyl 4-[(3,5-dimethylcyclohexyl)amino]-3-methylbenzoate
CID 64752950
2-chloro-4-iodo-N-(3-methylcyclohexyl)aniline
CID 43733640
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline?
The IUPAC name of 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline (CID 103561331) is 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline?
The canonical SMILES for 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline is Cc1cc(I)ccc1NC1CC(C)C1.
What is the InChIKey of 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline?
The InChIKey is WFULNUJWABSJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN/c1-8-5-11(6-8)14-12-4-3-10(13)7-9(12)2/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline?
4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline has a molecular weight of 301.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline is sourced from PubChem (CID 103561331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).