3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol

C11H16INO — CID 130498102

IUPAC3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol
SMILESCc1ccc(NCC(C)CO)cc1I
InChIInChI=1S/C11H16INO/c1-8(7-14)6-13-10-4-3-9(2)11(12)5-10/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyFQRHYTHKCOOAOW-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.64
Rot. Bonds4

About 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol

3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol (PubChem CID 130498102) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol
PubChem CID130498102
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol
SMILESCc1ccc(NCC(C)CO)cc1I
InChIInChI=1S/C11H16INO/c1-8(7-14)6-13-10-4-3-9(2)11(12)5-10/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyFQRHYTHKCOOAOW-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-4-methylanilino)-2-methylpropan-1-ol
CID 115871883
3-(3-bromo-4-methylanilino)-2-methylpropan-1-ol
CID 115871987
3-iodo-N-(2-methoxypropyl)-4-methylaniline
CID 126975577
3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-(3-iodo-2-methylanilino)-2-methylpropan-1-ol
CID 126973155
2-fluoro-4-[(3-hydroxy-2-methylpropyl)amino]benzoic acid
CID 115485507
3-iodo-4-methyl-N-octylaniline
CID 43716130
3-iodo-4-methyl-N-(5-methylhexan-2-yl)aniline
CID 43716218
3-iodo-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43784979
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol (CID 130498102) is 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol is Cc1ccc(NCC(C)CO)cc1I.
What is the InChIKey of 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol?
The InChIKey is FQRHYTHKCOOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-8(7-14)6-13-10-4-3-9(2)11(12)5-10/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol?
3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol has a molecular weight of 305.16 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 130498102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).