(4-iodophenyl)-(3-methoxyphenyl)methanamine

C14H14INO — CID 115785175

IUPAC(4-iodophenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(I)cc2)c1
InChIInChI=1S/C14H14INO/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14H,16H2,1H3
InChIKeyPSYUZZYUESDLKV-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.35
Rot. Bonds3

About (4-iodophenyl)-(3-methoxyphenyl)methanamine

(4-iodophenyl)-(3-methoxyphenyl)methanamine (PubChem CID 115785175) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is (4-iodophenyl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-iodophenyl)-(3-methoxyphenyl)methanamine
PubChem CID115785175
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name(4-iodophenyl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2ccc(I)cc2)c1
InChIInChI=1S/C14H14INO/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14H,16H2,1H3
InChIKeyPSYUZZYUESDLKV-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.35
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

4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
CID 43124868
1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methanamine
CID 55144052
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (4-iodophenyl)-(3-methoxyphenyl)methanamine (CID 115785175) is (4-iodophenyl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (4-iodophenyl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (4-iodophenyl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2ccc(I)cc2)c1.
What is the InChIKey of (4-iodophenyl)-(3-methoxyphenyl)methanamine?
The InChIKey is PSYUZZYUESDLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9,14H,16H2,1H3.
What are the key properties of (4-iodophenyl)-(3-methoxyphenyl)methanamine?
(4-iodophenyl)-(3-methoxyphenyl)methanamine has a molecular weight of 339.18 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 115785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).