2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine

C13H20INO — CID 62486400

IUPAC2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cccc(I)c1
InChIInChI=1S/C13H20INO/c1-4-12(9-15-10(2)3)16-13-7-5-6-11(14)8-13/h5-8,10,12,15H,4,9H2,1-3H3
InChIKeyLBZOIIUNGLTLJV-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.45
Rot. Bonds6

About 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine

2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62486400) has the molecular formula C13H20INO and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62486400
Molecular FormulaC13H20INO
Molecular Weight333.21 g/mol
Exact Mass333.06
IUPAC Name2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Oc1cccc(I)c1
InChIInChI=1S/C13H20INO/c1-4-12(9-15-10(2)3)16-13-7-5-6-11(14)8-13/h5-8,10,12,15H,4,9H2,1-3H3
InChIKeyLBZOIIUNGLTLJV-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
1,3-di(pentan-3-yloxy)benzene
CID 91386050
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533
2-(3-bromophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228325
2-(3-tert-butylphenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228503
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55076924
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine (CID 62486400) is 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Oc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is LBZOIIUNGLTLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20INO/c1-4-12(9-15-10(2)3)16-13-7-5-6-11(14)8-13/h5-8,10,12,15H,4,9H2,1-3H3.
What are the key properties of 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine?
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 333.21 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62486400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).