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

C14H22INO — CID 83045043

IUPAC2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1cccc(I)c1
InChIInChI=1S/C14H22INO/c1-4-6-14(10-16-11(2)3)17-13-8-5-7-12(15)9-13/h5,7-9,11,14,16H,4,6,10H2,1-3H3
InChIKeyWUELOABLZQZGJC-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.84
Rot. Bonds7

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

2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 83045043) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID83045043
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC Name2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Oc1cccc(I)c1
InChIInChI=1S/C14H22INO/c1-4-6-14(10-16-11(2)3)17-13-8-5-7-12(15)9-13/h5,7-9,11,14,16H,4,6,10H2,1-3H3
InChIKeyWUELOABLZQZGJC-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.84
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-ylbutan-1-amine
CID 62486400
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
2-(3,5-dimethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83044144
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
2-(4-tert-butylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83046661
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
2-[3-(1-hydroxypentan-2-yloxy)phenoxy]pentan-1-ol
CID 139715170

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine (CID 83045043) is 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Oc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is WUELOABLZQZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-4-6-14(10-16-11(2)3)17-13-8-5-7-12(15)9-13/h5,7-9,11,14,16H,4,6,10H2,1-3H3.
What are the key properties of 2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine?
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 347.24 g/mol, XLogP of 3.84, 7 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-ylpentan-1-amine is sourced from PubChem (CID 83045043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).