1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C17H20INO — CID 115864663

IUPAC1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccccc1I
InChIInChI=1S/C17H20INO/c1-19-17(15-5-3-4-6-16(15)18)12-9-13-7-10-14(20-2)11-8-13/h3-8,10-11,17,19H,9,12H2,1-2H3
InChIKeyLVVVNYLHBVJQHR-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.19
Rot. Bonds6

About 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 115864663) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID115864663
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccccc1I
InChIInChI=1S/C17H20INO/c1-19-17(15-5-3-4-6-16(15)18)12-9-13-7-10-14(20-2)11-8-13/h3-8,10-11,17,19H,9,12H2,1-2H3
InChIKeyLVVVNYLHBVJQHR-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310577
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864754
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 103215411
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 115864663) is 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNC(CCc1ccc(OC)cc1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is LVVVNYLHBVJQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-19-17(15-5-3-4-6-16(15)18)12-9-13-7-10-14(20-2)11-8-13/h3-8,10-11,17,19H,9,12H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 381.26 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 115864663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).