1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine

C18H20IN — CID 105053633

IUPAC1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C2CCC2)c1)c1ccccc1I
InChIInChI=1S/C18H20IN/c1-20-18(16-10-2-3-11-17(16)19)15-9-5-8-14(12-15)13-6-4-7-13/h2-3,5,8-13,18,20H,4,6-7H2,1H3
InChIKeyKCAATDHYPNZDIM-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.87
Rot. Bonds4

About 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine

1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine (PubChem CID 105053633) has the molecular formula C18H20IN and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
PubChem CID105053633
Molecular FormulaC18H20IN
Molecular Weight377.27 g/mol
Exact Mass377.06
IUPAC Name1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C2CCC2)c1)c1ccccc1I
InChIInChI=1S/C18H20IN/c1-20-18(16-10-2-3-11-17(16)19)15-9-5-8-14(12-15)13-6-4-7-13/h2-3,5,8-13,18,20H,4,6-7H2,1H3
InChIKeyKCAATDHYPNZDIM-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.87
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

1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 106693358
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
[(3-bromo-2-methylphenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342034
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013
1-(2-iodophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057061
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
[(2-chlorofuran-3-yl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 106694793

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine (CID 105053633) is 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine is CNC(c1cccc(C2CCC2)c1)c1ccccc1I.
What is the InChIKey of 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The InChIKey is KCAATDHYPNZDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN/c1-20-18(16-10-2-3-11-17(16)19)15-9-5-8-14(12-15)13-6-4-7-13/h2-3,5,8-13,18,20H,4,6-7H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine has a molecular weight of 377.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 105053633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).