(4-iodo-2-methoxyphenyl)methanamine

C8H10INO — CID 91883504

IUPAC(4-iodo-2-methoxyphenyl)methanamine
SMILESCOc1cc(I)ccc1CN
InChIInChI=1S/C8H10INO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyNXLDCQPYIJDXCR-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.76
Rot. Bonds2

About (4-iodo-2-methoxyphenyl)methanamine

(4-iodo-2-methoxyphenyl)methanamine (PubChem CID 91883504) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is (4-iodo-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-iodo-2-methoxyphenyl)methanamine
PubChem CID91883504
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name(4-iodo-2-methoxyphenyl)methanamine
SMILESCOc1cc(I)ccc1CN
InChIInChI=1S/C8H10INO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyNXLDCQPYIJDXCR-UHFFFAOYSA-N
XLogP1.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.76
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-ethyl-4-iodo-2-methoxybenzene
CID 90338673
2-(4-iodo-2-methoxyphenyl)acetonitrile
CID 91883503
1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one
CID 170836844
4-(aminomethyl)-3-methoxybenzonitrile
CID 18424090
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
1,4-diiodo-2-methoxybenzene
CID 23154690
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559
4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
methyl 2-(aminomethyl)-5-iodobenzoate
CID 44828946
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563
(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733

Frequently Asked Questions

What is the IUPAC name of (4-iodo-2-methoxyphenyl)methanamine?
The IUPAC name of (4-iodo-2-methoxyphenyl)methanamine (CID 91883504) is (4-iodo-2-methoxyphenyl)methanamine.
What is the SMILES notation for (4-iodo-2-methoxyphenyl)methanamine?
The canonical SMILES for (4-iodo-2-methoxyphenyl)methanamine is COc1cc(I)ccc1CN.
What is the InChIKey of (4-iodo-2-methoxyphenyl)methanamine?
The InChIKey is NXLDCQPYIJDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-iodo-2-methoxyphenyl)methanamine?
(4-iodo-2-methoxyphenyl)methanamine has a molecular weight of 263.08 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-2-methoxyphenyl)methanamine is sourced from PubChem (CID 91883504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).