(4-ethoxyphenyl)-(2-iodophenyl)methanamine

C15H16INO — CID 43197172

IUPAC(4-ethoxyphenyl)-(2-iodophenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccccc2I)cc1
InChIInChI=1S/C15H16INO/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15H,2,17H2,1H3
InChIKeyCVUCLBIJYLABCQ-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.74
Rot. Bonds4

About (4-ethoxyphenyl)-(2-iodophenyl)methanamine

(4-ethoxyphenyl)-(2-iodophenyl)methanamine (PubChem CID 43197172) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(2-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(2-iodophenyl)methanamine
PubChem CID43197172
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name(4-ethoxyphenyl)-(2-iodophenyl)methanamine
SMILESCCOc1ccc(C(N)c2ccccc2I)cc1
InChIInChI=1S/C15H16INO/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15H,2,17H2,1H3
InChIKeyCVUCLBIJYLABCQ-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.74
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-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(4-chlorophenyl)-(2-iodophenyl)methanamine
CID 24707466
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(2-iodophenyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(2-iodophenyl)methanamine (CID 43197172) is (4-ethoxyphenyl)-(2-iodophenyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(2-iodophenyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(2-iodophenyl)methanamine is CCOc1ccc(C(N)c2ccccc2I)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(2-iodophenyl)methanamine?
The InChIKey is CVUCLBIJYLABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-2-18-12-9-7-11(8-10-12)15(17)13-5-3-4-6-14(13)16/h3-10,15H,2,17H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(2-iodophenyl)methanamine?
(4-ethoxyphenyl)-(2-iodophenyl)methanamine has a molecular weight of 353.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(2-iodophenyl)methanamine is sourced from PubChem (CID 43197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).