4-(iodomethyl)-2,3,5,6-tetramethylaniline

C11H16IN — CID 134361055

IUPAC4-(iodomethyl)-2,3,5,6-tetramethylaniline
SMILESCc1c(C)c(CI)c(C)c(C)c1N
InChIInChI=1S/C11H16IN/c1-6-8(3)11(13)9(4)7(2)10(6)5-12/h5,13H2,1-4H3
InChIKeyIUJBWBNSMRQZTG-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.44
Rot. Bonds1

About 4-(iodomethyl)-2,3,5,6-tetramethylaniline

4-(iodomethyl)-2,3,5,6-tetramethylaniline (PubChem CID 134361055) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 4-(iodomethyl)-2,3,5,6-tetramethylaniline.

Molecular Properties

Compound Name4-(iodomethyl)-2,3,5,6-tetramethylaniline
PubChem CID134361055
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name4-(iodomethyl)-2,3,5,6-tetramethylaniline
SMILESCc1c(C)c(CI)c(C)c(C)c1N
InChIInChI=1S/C11H16IN/c1-6-8(3)11(13)9(4)7(2)10(6)5-12/h5,13H2,1-4H3
InChIKeyIUJBWBNSMRQZTG-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

2,3,4,5,6-pentamethylaniline;hydrochloride
CID 139747221
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
5,6-dimethyl-3-phosphanylbenzene-1,2,4-triamine
CID 163738273
4,6-diamino-5-ethyl-2-methylbenzene-1,3-dithiol
CID 123643667
2,4,6-triethyl-3-methyl-5-phosphanylaniline
CID 142461641
1-(4-amino-2,3,5,6-tetramethylanilino)-3-chloropropan-2-ol
CID 20748857
2,3,5,6-tetramethylaniline
CID 3456097
2,5-diamino-3,6-dimethylbenzene-1,4-dithiol;dihydrochloride
CID 174598456
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052
1,3,4-trimethylnaphthalen-2-amine
CID 68501802
(2-amino-5-butyl-6-fluorosulfanyl-3,4-dimethylphenyl) thiohypofluorite
CID 126663542

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2,3,5,6-tetramethylaniline?
The IUPAC name of 4-(iodomethyl)-2,3,5,6-tetramethylaniline (CID 134361055) is 4-(iodomethyl)-2,3,5,6-tetramethylaniline.
What is the SMILES notation for 4-(iodomethyl)-2,3,5,6-tetramethylaniline?
The canonical SMILES for 4-(iodomethyl)-2,3,5,6-tetramethylaniline is Cc1c(C)c(CI)c(C)c(C)c1N.
What is the InChIKey of 4-(iodomethyl)-2,3,5,6-tetramethylaniline?
The InChIKey is IUJBWBNSMRQZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-6-8(3)11(13)9(4)7(2)10(6)5-12/h5,13H2,1-4H3.
What are the key properties of 4-(iodomethyl)-2,3,5,6-tetramethylaniline?
4-(iodomethyl)-2,3,5,6-tetramethylaniline has a molecular weight of 289.16 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2,3,5,6-tetramethylaniline is sourced from PubChem (CID 134361055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).