(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine

C16H18IN — CID 43625266

IUPAC(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2cccc(I)c2)cc1
InChIInChI=1S/C16H18IN/c1-11(2)12-6-8-13(9-7-12)16(18)14-4-3-5-15(17)10-14/h3-11,16H,18H2,1-2H3
InChIKeyBYYCXQVOHKUNCN-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.46
Rot. Bonds3

About (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine

(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 43625266) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
PubChem CID43625266
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC Name(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
SMILESCC(C)c1ccc(C(N)c2cccc(I)c2)cc1
InChIInChI=1S/C16H18IN/c1-11(2)12-6-8-13(9-7-12)16(18)14-4-3-5-15(17)10-14/h3-11,16H,18H2,1-2H3
InChIKeyBYYCXQVOHKUNCN-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.46
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

Benzhydrylamine
CID 7036
1-(4-Methylphenyl)ethylamine
CID 577386
1,2-Diphenylethylamine
CID 26482
4-Phenylbenzylamine
CID 344989
(1R,2R)-(+)-1,2-Diphenylethylenediamine
CID 2724998
Meso-1,2-Diphenylethylenediamine
CID 6931234
1,2-Diphenylethane-1,2-diamine
CID 110695
1,2-Diphenylethan-1-amine hydrochloride
CID 91161
5H-Dibenzo(a,d)cycloheptene, 5-amino-
CID 208163
(1S,2S)-1,2-diphenylethane-1,2-diamine
CID 6931238
(4-Phenylphenyl)methanamine hydrochloride
CID 18182529
[3-(3-Methylphenyl)phenyl]methanamine
CID 1392314

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine (CID 43625266) is (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine is CC(C)c1ccc(C(N)c2cccc(I)c2)cc1.
What is the InChIKey of (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is BYYCXQVOHKUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-11(2)12-6-8-13(9-7-12)16(18)14-4-3-5-15(17)10-14/h3-11,16H,18H2,1-2H3.
What are the key properties of (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine?
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 351.23 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43625266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).