4-(3-iodo-3-methylbutyl)aniline

C11H16IN — CID 167284801

IUPAC4-(3-iodo-3-methylbutyl)aniline
SMILESCC(C)(I)CCc1ccc(N)cc1
InChIInChI=1S/C11H16IN/c1-11(2,12)8-7-9-3-5-10(13)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyYKWZWFXWOMIXFA-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.41
Rot. Bonds3

About 4-(3-iodo-3-methylbutyl)aniline

4-(3-iodo-3-methylbutyl)aniline (PubChem CID 167284801) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-(3-iodo-3-methylbutyl)aniline.

Molecular Properties

Compound Name4-(3-iodo-3-methylbutyl)aniline
PubChem CID167284801
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name4-(3-iodo-3-methylbutyl)aniline
SMILESCC(C)(I)CCc1ccc(N)cc1
InChIInChI=1S/C11H16IN/c1-11(2,12)8-7-9-3-5-10(13)6-4-9/h3-6H,7-8,13H2,1-2H3
InChIKeyYKWZWFXWOMIXFA-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(4-aminophenyl)-2-phenylbutan-2-ol
CID 175022996
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
CID 154634123
5-(4-aminophenyl)-3-hydroxy-3-methylpentanoic acid
CID 18736900
4-(2-trimethylsilylethyl)aniline
CID 68551367
4-(3,3-diethoxy-3-silylpropyl)aniline
CID 173240002
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373
4-[2-[4-[[4-[2-(4-aminophenyl)ethyl]phenyl]diazenyl]phenyl]ethyl]aniline
CID 134597339
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112587191
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodo-3-methylbutyl)aniline?
The IUPAC name of 4-(3-iodo-3-methylbutyl)aniline (CID 167284801) is 4-(3-iodo-3-methylbutyl)aniline.
What is the SMILES notation for 4-(3-iodo-3-methylbutyl)aniline?
The canonical SMILES for 4-(3-iodo-3-methylbutyl)aniline is CC(C)(I)CCc1ccc(N)cc1.
What is the InChIKey of 4-(3-iodo-3-methylbutyl)aniline?
The InChIKey is YKWZWFXWOMIXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-11(2,12)8-7-9-3-5-10(13)6-4-9/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 4-(3-iodo-3-methylbutyl)aniline?
4-(3-iodo-3-methylbutyl)aniline has a molecular weight of 289.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodo-3-methylbutyl)aniline is sourced from PubChem (CID 167284801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).