(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine

C13H10Cl2IN — CID 114030061

IUPAC(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C13H10Cl2IN/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7,13H,17H2
InChIKeyJMGQJWMYIDMJOG-UHFFFAOYSA-N
MW378.04 g/mol
LogP4.65
Rot. Bonds2

About (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine

(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine (PubChem CID 114030061) has the molecular formula C13H10Cl2IN and a molecular weight of 378.04 g/mol. Its IUPAC name is (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
PubChem CID114030061
Molecular FormulaC13H10Cl2IN
Molecular Weight378.04 g/mol
Exact Mass376.92
IUPAC Name(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
SMILESNC(c1cccc(Cl)c1)c1cc(Cl)ccc1I
InChIInChI=1S/C13H10Cl2IN/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7,13H,17H2
InChIKeyJMGQJWMYIDMJOG-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.04
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
CID 114030041
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-chlorophenyl)-(2-iodophenyl)methanamine
CID 24707466
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine?
The IUPAC name of (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine (CID 114030061) is (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine.
What is the SMILES notation for (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine?
The canonical SMILES for (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine is NC(c1cccc(Cl)c1)c1cc(Cl)ccc1I.
What is the InChIKey of (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine?
The InChIKey is JMGQJWMYIDMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2IN/c14-9-3-1-2-8(6-9)13(17)11-7-10(15)4-5-12(11)16/h1-7,13H,17H2.
What are the key properties of (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine?
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine has a molecular weight of 378.04 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine is sourced from PubChem (CID 114030061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).