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

C14H12Cl2INO — CID 103219970

IUPAC(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2INO/c1-19-13-5-3-9(7-11(13)16)14(18)8-2-4-12(17)10(15)6-8/h2-7,14H,18H2,1H3
InChIKeyQZBRQVPFCANJEB-UHFFFAOYSA-N
MW408.07 g/mol
LogP4.65
Rot. Bonds3

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

(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine (PubChem CID 103219970) has the molecular formula C14H12Cl2INO and a molecular weight of 408.07 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
PubChem CID103219970
Molecular FormulaC14H12Cl2INO
Molecular Weight408.07 g/mol
Exact Mass406.93
IUPAC Name(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H12Cl2INO/c1-19-13-5-3-9(7-11(13)16)14(18)8-2-4-12(17)10(15)6-8/h2-7,14H,18H2,1H3
InChIKeyQZBRQVPFCANJEB-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.65
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

(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
4-[bromo-(3-chloro-4-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 103210804
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(3-bromo-4-propoxyphenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220581
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanamine
CID 43130972
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(3-chloro-4-methoxyphenyl)-(3-methylthiophen-2-yl)methanamine
CID 43464562

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine (CID 103219970) is (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(I)c(Cl)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The InChIKey is QZBRQVPFCANJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO/c1-19-13-5-3-9(7-11(13)16)14(18)8-2-4-12(17)10(15)6-8/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine has a molecular weight of 408.07 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 103219970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).