(2-iodo-4-methoxyphenyl)methanamine;hydrochloride

C8H11ClINO — CID 170917022

IUPAC(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(CN)c(I)c1.Cl
InChIInChI=1S/C8H10INO.ClH/c1-11-7-3-2-6(5-10)8(9)4-7;/h2-4H,5,10H2,1H3;1H
InChIKeySNSKFFIHRCZBOV-UHFFFAOYSA-N
MW299.54 g/mol
LogP2.18
Rot. Bonds2

About (2-iodo-4-methoxyphenyl)methanamine;hydrochloride

(2-iodo-4-methoxyphenyl)methanamine;hydrochloride (PubChem CID 170917022) has the molecular formula C8H11ClINO and a molecular weight of 299.54 g/mol. Its IUPAC name is (2-iodo-4-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
PubChem CID170917022
Molecular FormulaC8H11ClINO
Molecular Weight299.54 g/mol
Exact Mass298.96
IUPAC Name(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccc(CN)c(I)c1.Cl
InChIInChI=1S/C8H10INO.ClH/c1-11-7-3-2-6(5-10)8(9)4-7;/h2-4H,5,10H2,1H3;1H
InChIKeySNSKFFIHRCZBOV-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 52.18
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

(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
CID 155696635
CID 155696635
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
4-(aminomethyl)-3-iodoaniline
CID 91883183
(1-ethyl-7-methoxynaphthalen-2-yl)methanamine
CID 115057640
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
(2-ethynyl-5-methoxyphenyl)methanamine
CID 130535133
2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
2-iodo-5-methoxyaniline
CID 11139508
(4-fluoro-2-iodophenyl)methanamine
CID 21069911

Frequently Asked Questions

What is the IUPAC name of (2-iodo-4-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2-iodo-4-methoxyphenyl)methanamine;hydrochloride (CID 170917022) is (2-iodo-4-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-iodo-4-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-iodo-4-methoxyphenyl)methanamine;hydrochloride is COc1ccc(CN)c(I)c1.Cl.
What is the InChIKey of (2-iodo-4-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is SNSKFFIHRCZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO.ClH/c1-11-7-3-2-6(5-10)8(9)4-7;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (2-iodo-4-methoxyphenyl)methanamine;hydrochloride?
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 299.54 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-4-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 170917022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).