(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine

C16H18INO — CID 55056840

IUPAC(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1cccc(I)c1
InChIInChI=1S/C16H18INO/c1-3-19-15-8-7-11(2)9-14(15)16(18)12-5-4-6-13(17)10-12/h4-10,16H,3,18H2,1-2H3
InChIKeyFJVFSBQGNCDOHX-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.05
Rot. Bonds4

About (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine

(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine (PubChem CID 55056840) has the molecular formula C16H18INO and a molecular weight of 367.23 g/mol. Its IUPAC name is (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
PubChem CID55056840
Molecular FormulaC16H18INO
Molecular Weight367.23 g/mol
Exact Mass367.04
IUPAC Name(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1cccc(I)c1
InChIInChI=1S/C16H18INO/c1-3-19-15-8-7-11(2)9-14(15)16(18)12-5-4-6-13(17)10-12/h4-10,16H,3,18H2,1-2H3
InChIKeyFJVFSBQGNCDOHX-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.05
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-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 107979822
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 62302991
(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990382
2-[chloro-(3-iodophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63435254
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940
1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43487317
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
2-ethoxy-1-(3-iodophenyl)ethanamine
CID 105007873
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine?
The IUPAC name of (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine (CID 55056840) is (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine?
The canonical SMILES for (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine is CCOc1ccc(C)cc1C(N)c1cccc(I)c1.
What is the InChIKey of (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine?
The InChIKey is FJVFSBQGNCDOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO/c1-3-19-15-8-7-11(2)9-14(15)16(18)12-5-4-6-13(17)10-12/h4-10,16H,3,18H2,1-2H3.
What are the key properties of (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine?
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine has a molecular weight of 367.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 55056840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).