3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine

C13H20INO — CID 62486584

IUPAC3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)COc1cccc(I)c1
InChIInChI=1S/C13H20INO/c1-10(2)15-8-11(3)9-16-13-6-4-5-12(14)7-13/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyWVRIEQDRAHFGGL-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.30
Rot. Bonds6

About 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine

3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62486584) has the molecular formula C13H20INO and a molecular weight of 333.21 g/mol. Its IUPAC name is 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62486584
Molecular FormulaC13H20INO
Molecular Weight333.21 g/mol
Exact Mass333.06
IUPAC Name3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(CNC(C)C)COc1cccc(I)c1
InChIInChI=1S/C13H20INO/c1-10(2)15-8-11(3)9-16-13-6-4-5-12(14)7-13/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyWVRIEQDRAHFGGL-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.30
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-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
CID 62486582
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62459279
3-(3-iodophenoxy)-2-methylpropanamide
CID 61400057
N-[[5-[(3-iodophenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55077251
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
7-[2-methyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103075234

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62486584) is 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine is CC(CNC(C)C)COc1cccc(I)c1.
What is the InChIKey of 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is WVRIEQDRAHFGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO/c1-10(2)15-8-11(3)9-16-13-6-4-5-12(14)7-13/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 333.21 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62486584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).