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

C17H20INO — CID 65477669

IUPAC1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(N)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C17H20INO/c1-17(19,11-13-3-7-15(18)8-4-13)12-14-5-9-16(20-2)10-6-14/h3-10H,11-12,19H2,1-2H3
InChIKeyUMOGVFKNXYMGSR-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.80
Rot. Bonds5

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

1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 65477669) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID65477669
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC Name1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(N)Cc2ccc(I)cc2)cc1
InChIInChI=1S/C17H20INO/c1-17(19,11-13-3-7-15(18)8-4-13)12-14-5-9-16(20-2)10-6-14/h3-10H,11-12,19H2,1-2H3
InChIKeyUMOGVFKNXYMGSR-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.80
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

2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114931245
1-(4-methoxyphenyl)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824884
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
1-(3-bromo-4-fluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 63273009
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
1-(5-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 79732624
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114347101
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine (CID 65477669) is 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(N)Cc2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is UMOGVFKNXYMGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-17(19,11-13-3-7-15(18)8-4-13)12-14-5-9-16(20-2)10-6-14/h3-10H,11-12,19H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine?
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 381.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 65477669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).