(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine

C16H18IN — CID 104990382

IUPAC(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc(I)c2)cc1C
InChIInChI=1S/C16H18IN/c1-10-7-12(3)15(8-11(10)2)16(18)13-5-4-6-14(17)9-13/h4-9,16H,18H2,1-3H3
InChIKeyHKVAYHPRXUUPQR-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.26
Rot. Bonds2

About (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine

(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990382) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990382
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cccc(I)c2)cc1C
InChIInChI=1S/C16H18IN/c1-10-7-12(3)15(8-11(10)2)16(18)13-5-4-6-14(17)9-13/h4-9,16H,18H2,1-3H3
InChIKeyHKVAYHPRXUUPQR-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.26
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-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine (CID 104990382) is (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cccc(I)c2)cc1C.
What is the InChIKey of (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is HKVAYHPRXUUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-10-7-12(3)15(8-11(10)2)16(18)13-5-4-6-14(17)9-13/h4-9,16H,18H2,1-3H3.
What are the key properties of (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine?
(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 351.23 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).