N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine

C15H24INO — CID 83044883

IUPACN-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1cccc(I)c1
InChIInChI=1S/C15H24INO/c1-5-7-14(11-17-15(2,3)4)18-13-9-6-8-12(16)10-13/h6,8-10,14,17H,5,7,11H2,1-4H3
InChIKeyGGRGURMQAUKBNQ-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.23
Rot. Bonds6

About N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine

N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine (PubChem CID 83044883) has the molecular formula C15H24INO and a molecular weight of 361.27 g/mol. Its IUPAC name is N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
PubChem CID83044883
Molecular FormulaC15H24INO
Molecular Weight361.27 g/mol
Exact Mass361.09
IUPAC NameN-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1cccc(I)c1
InChIInChI=1S/C15H24INO/c1-5-7-14(11-17-15(2,3)4)18-13-9-6-8-12(16)10-13/h6,8-10,14,17H,5,7,11H2,1-4H3
InChIKeyGGRGURMQAUKBNQ-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.23
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

N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
2-(3-iodophenoxy)-N-propan-2-ylpentan-1-amine
CID 83045043
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
N-tert-butyl-2-(4-butylphenoxy)pentan-1-amine
CID 83049497
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine
CID 107387870
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine (CID 83044883) is N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine is CCCC(CNC(C)(C)C)Oc1cccc(I)c1.
What is the InChIKey of N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine?
The InChIKey is GGRGURMQAUKBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24INO/c1-5-7-14(11-17-15(2,3)4)18-13-9-6-8-12(16)10-13/h6,8-10,14,17H,5,7,11H2,1-4H3.
What are the key properties of N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine?
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine has a molecular weight of 361.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine is sourced from PubChem (CID 83044883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).