1-(2-iodo-4-methylanilino)propan-2-ol

C10H14INO — CID 101467766

IUPAC1-(2-iodo-4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(C)O)c(I)c1
InChIInChI=1S/C10H14INO/c1-7-3-4-10(9(11)5-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3
InChIKeyIIZZGIGJXKKSIX-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.39
Rot. Bonds3

About 1-(2-iodo-4-methylanilino)propan-2-ol

1-(2-iodo-4-methylanilino)propan-2-ol (PubChem CID 101467766) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-(2-iodo-4-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-iodo-4-methylanilino)propan-2-ol
PubChem CID101467766
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name1-(2-iodo-4-methylanilino)propan-2-ol
SMILESCc1ccc(NCC(C)O)c(I)c1
InChIInChI=1S/C10H14INO/c1-7-3-4-10(9(11)5-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3
InChIKeyIIZZGIGJXKKSIX-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.39
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

(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
2-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 107931244
1-(2-bromo-4-iodoanilino)propan-2-ol
CID 126975658
1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
CID 126985657
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-4-methylanilino)propan-2-ol?
The IUPAC name of 1-(2-iodo-4-methylanilino)propan-2-ol (CID 101467766) is 1-(2-iodo-4-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-iodo-4-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2-iodo-4-methylanilino)propan-2-ol is Cc1ccc(NCC(C)O)c(I)c1.
What is the InChIKey of 1-(2-iodo-4-methylanilino)propan-2-ol?
The InChIKey is IIZZGIGJXKKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-7-3-4-10(9(11)5-7)12-6-8(2)13/h3-5,8,12-13H,6H2,1-2H3.
What are the key properties of 1-(2-iodo-4-methylanilino)propan-2-ol?
1-(2-iodo-4-methylanilino)propan-2-ol has a molecular weight of 291.13 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-4-methylanilino)propan-2-ol is sourced from PubChem (CID 101467766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).