1-(2-iodo-3-methylphenyl)-N-methylmethanamine

C9H12IN — CID 15288422

IUPAC1-(2-iodo-3-methylphenyl)-N-methylmethanamine
SMILESCNCc1cccc(C)c1I
InChIInChI=1S/C9H12IN/c1-7-4-3-5-8(6-11-2)9(7)10/h3-5,11H,6H2,1-2H3
InChIKeyONZBFGZQRNGPNE-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-iodo-3-methylphenyl)-N-methylmethanamine

1-(2-iodo-3-methylphenyl)-N-methylmethanamine (PubChem CID 15288422) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-(2-iodo-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-iodo-3-methylphenyl)-N-methylmethanamine
PubChem CID15288422
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name1-(2-iodo-3-methylphenyl)-N-methylmethanamine
SMILESCNCc1cccc(C)c1I
InChIInChI=1S/C9H12IN/c1-7-4-3-5-8(6-11-2)9(7)10/h3-5,11H,6H2,1-2H3
InChIKeyONZBFGZQRNGPNE-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
CID 135394469
1-[2-(2,3-dimethylphenyl)phenyl]-N-methylmethanamine
CID 62549368
1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
CID 155822596
1-[2-methyl-6-(methylaminomethyl)phenyl]ethanone
CID 166977883
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
1-(2,6-dimethylphenyl)-N-methylmethanamine;molecular hydrogen
CID 171631907
1-but-3-ynyl-2-iodo-3-methylbenzene
CID 134897969
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-iodo-3-methylphenyl)-N-methylmethanamine (CID 15288422) is 1-(2-iodo-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-iodo-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-iodo-3-methylphenyl)-N-methylmethanamine is CNCc1cccc(C)c1I.
What is the InChIKey of 1-(2-iodo-3-methylphenyl)-N-methylmethanamine?
The InChIKey is ONZBFGZQRNGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN/c1-7-4-3-5-8(6-11-2)9(7)10/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(2-iodo-3-methylphenyl)-N-methylmethanamine?
1-(2-iodo-3-methylphenyl)-N-methylmethanamine has a molecular weight of 261.11 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 15288422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).