3-[(dimethylamino)methyl]-2-iodophenol

C9H12INO — CID 135394008

IUPAC3-[(dimethylamino)methyl]-2-iodophenol
SMILESCN(C)Cc1cccc(O)c1I
InChIInChI=1S/C9H12INO/c1-11(2)6-7-4-3-5-8(12)9(7)10/h3-5,12H,6H2,1-2H3
InChIKeyHXCMYKKKLWZAMT-UHFFFAOYSA-N
MW277.10 g/mol
LogP2.06
Rot. Bonds2

About 3-[(dimethylamino)methyl]-2-iodophenol

3-[(dimethylamino)methyl]-2-iodophenol (PubChem CID 135394008) has the molecular formula C9H12INO and a molecular weight of 277.10 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-2-iodophenol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-2-iodophenol
PubChem CID135394008
Molecular FormulaC9H12INO
Molecular Weight277.10 g/mol
Exact Mass277.00
IUPAC Name3-[(dimethylamino)methyl]-2-iodophenol
SMILESCN(C)Cc1cccc(O)c1I
InChIInChI=1S/C9H12INO/c1-11(2)6-7-4-3-5-8(12)9(7)10/h3-5,12H,6H2,1-2H3
InChIKeyHXCMYKKKLWZAMT-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
CID 86030016
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
benzene-1,3-diamine;2-[(dimethylamino)methyl]phenol;formaldehyde
CID 6455837
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
3-(hydrazinylmethyl)-2-iodophenol;hydrochloride
CID 135395452
4-[(dimethylamino)methyl]naphthalen-1-ol
CID 131860165
1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine
CID 11832995
2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
CID 13144288
4-[[2-[(dimethylamino)methyl]anilino]methyl]benzene-1,2,3-triol
CID 107730732
2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole
CID 175322910
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-4-iodo-5-methylphenol
CID 20817904
N-[2-[(dimethylamino)methyl]phenyl]-3-hydroxybenzamide
CID 110472375

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-2-iodophenol?
The IUPAC name of 3-[(dimethylamino)methyl]-2-iodophenol (CID 135394008) is 3-[(dimethylamino)methyl]-2-iodophenol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-2-iodophenol?
The canonical SMILES for 3-[(dimethylamino)methyl]-2-iodophenol is CN(C)Cc1cccc(O)c1I.
What is the InChIKey of 3-[(dimethylamino)methyl]-2-iodophenol?
The InChIKey is HXCMYKKKLWZAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO/c1-11(2)6-7-4-3-5-8(12)9(7)10/h3-5,12H,6H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-2-iodophenol?
3-[(dimethylamino)methyl]-2-iodophenol has a molecular weight of 277.10 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-2-iodophenol is sourced from PubChem (CID 135394008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).