(2,3-dimethylphenyl)-(2-iodophenyl)methanamine

C15H16IN — CID 115850479

IUPAC(2,3-dimethylphenyl)-(2-iodophenyl)methanamine
SMILESCc1cccc(C(N)c2ccccc2I)c1C
InChIInChI=1S/C15H16IN/c1-10-6-5-8-12(11(10)2)15(17)13-7-3-4-9-14(13)16/h3-9,15H,17H2,1-2H3
InChIKeyQCZXQOVUKFMXNZ-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.96
Rot. Bonds2

About (2,3-dimethylphenyl)-(2-iodophenyl)methanamine

(2,3-dimethylphenyl)-(2-iodophenyl)methanamine (PubChem CID 115850479) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(2-iodophenyl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(2-iodophenyl)methanamine
PubChem CID115850479
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name(2,3-dimethylphenyl)-(2-iodophenyl)methanamine
SMILESCc1cccc(C(N)c2ccccc2I)c1C
InChIInChI=1S/C15H16IN/c1-10-6-5-8-12(11(10)2)15(17)13-7-3-4-9-14(13)16/h3-9,15H,17H2,1-2H3
InChIKeyQCZXQOVUKFMXNZ-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.96
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

(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
1-iodo-2,3-dimethylbenzene;1,2-xylene
CID 175003744
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
CID 115850536
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(2-iodophenyl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)-(2-iodophenyl)methanamine (CID 115850479) is (2,3-dimethylphenyl)-(2-iodophenyl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-(2-iodophenyl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-(2-iodophenyl)methanamine is Cc1cccc(C(N)c2ccccc2I)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(2-iodophenyl)methanamine?
The InChIKey is QCZXQOVUKFMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-10-6-5-8-12(11(10)2)15(17)13-7-3-4-9-14(13)16/h3-9,15H,17H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(2-iodophenyl)methanamine?
(2,3-dimethylphenyl)-(2-iodophenyl)methanamine has a molecular weight of 337.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(2-iodophenyl)methanamine is sourced from PubChem (CID 115850479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).