(2-chlorophenyl)-(4-iodophenyl)methanamine

C13H11ClIN — CID 115800922

IUPAC(2-chlorophenyl)-(4-iodophenyl)methanamine
SMILESNC(c1ccc(I)cc1)c1ccccc1Cl
InChIInChI=1S/C13H11ClIN/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,13H,16H2
InChIKeyZYKOKYOJLXYYDC-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.99
Rot. Bonds2

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

(2-chlorophenyl)-(4-iodophenyl)methanamine (PubChem CID 115800922) has the molecular formula C13H11ClIN and a molecular weight of 343.60 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-iodophenyl)methanamine
PubChem CID115800922
Molecular FormulaC13H11ClIN
Molecular Weight343.60 g/mol
Exact Mass342.96
IUPAC Name(2-chlorophenyl)-(4-iodophenyl)methanamine
SMILESNC(c1ccc(I)cc1)c1ccccc1Cl
InChIInChI=1S/C13H11ClIN/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,13H,16H2
InChIKeyZYKOKYOJLXYYDC-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.99
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

(4-chlorophenyl)-(2-iodophenyl)methanamine
CID 24707466
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018125
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
6-[amino-(2-chlorophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43097312
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-chlorophenyl)-[3-(difluoromethoxy)phenyl]methanamine
CID 115801705
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(1S)-1-(2-chlorophenyl)prop-2-yn-1-amine
CID 97000228

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-iodophenyl)methanamine?
The IUPAC name of (2-chlorophenyl)-(4-iodophenyl)methanamine (CID 115800922) is (2-chlorophenyl)-(4-iodophenyl)methanamine.
What is the SMILES notation for (2-chlorophenyl)-(4-iodophenyl)methanamine?
The canonical SMILES for (2-chlorophenyl)-(4-iodophenyl)methanamine is NC(c1ccc(I)cc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-iodophenyl)methanamine?
The InChIKey is ZYKOKYOJLXYYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,13H,16H2.
What are the key properties of (2-chlorophenyl)-(4-iodophenyl)methanamine?
(2-chlorophenyl)-(4-iodophenyl)methanamine has a molecular weight of 343.60 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-iodophenyl)methanamine is sourced from PubChem (CID 115800922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).