N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

C16H24INO — CID 115864188

IUPACN-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)C1CCC(C)O1
InChIInChI=1S/C16H24INO/c1-3-10-18-15(16-9-4-12(2)19-16)11-13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyBGWWXOCOFXEDMY-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine

N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (PubChem CID 115864188) has the molecular formula C16H24INO and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
PubChem CID115864188
Molecular FormulaC16H24INO
Molecular Weight373.28 g/mol
Exact Mass373.09
IUPAC NameN-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)C1CCC(C)O1
InChIInChI=1S/C16H24INO/c1-3-10-18-15(16-9-4-12(2)19-16)11-13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyBGWWXOCOFXEDMY-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.77
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-[1-(5-methyloxolan-2-yl)-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 115844239
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
N-[2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 81330027
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
N-[2-(1,3-diethylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105001653
N-[1-(5-methyloxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104999639
N-[1-(1,1-dioxothian-2-yl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 115864313
N-[2-cyclohexyl-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115842084
N-ethyl-1-(5-methyloxolan-2-yl)-2-pyridin-3-ylethanamine
CID 105034589

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine (CID 115864188) is N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(I)cc1)C1CCC(C)O1.
What is the InChIKey of N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
The InChIKey is BGWWXOCOFXEDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INO/c1-3-10-18-15(16-9-4-12(2)19-16)11-13-5-7-14(17)8-6-13/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine?
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine has a molecular weight of 373.28 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115864188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).