(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine

C14H13ClINO — CID 114030041

IUPAC(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1cc(Cl)ccc1I
InChIInChI=1S/C14H13ClINO/c1-18-13-5-3-2-4-10(13)14(17)11-8-9(15)6-7-12(11)16/h2-8,14H,17H2,1H3
InChIKeyLTUYPSHDGDZGQR-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.00
Rot. Bonds3

About (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine

(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine (PubChem CID 114030041) has the molecular formula C14H13ClINO and a molecular weight of 373.62 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
PubChem CID114030041
Molecular FormulaC14H13ClINO
Molecular Weight373.62 g/mol
Exact Mass372.97
IUPAC Name(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1cc(Cl)ccc1I
InChIInChI=1S/C14H13ClINO/c1-18-13-5-3-2-4-10(13)14(17)11-8-9(15)6-7-12(11)16/h2-8,14H,17H2,1H3
InChIKeyLTUYPSHDGDZGQR-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.00
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

(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
(5-chloro-2-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024991
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191297
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
CID 114030695
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
(4-chloro-3-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 107991958

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine (CID 114030041) is (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)c1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine?
The InChIKey is LTUYPSHDGDZGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO/c1-18-13-5-3-2-4-10(13)14(17)11-8-9(15)6-7-12(11)16/h2-8,14H,17H2,1H3.
What are the key properties of (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine?
(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine has a molecular weight of 373.62 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 114030041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).