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

C16H24INO — CID 65479183

IUPACN-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)C1CCOCC1
InChIInChI=1S/C16H24INO/c1-2-9-18-16(14-7-10-19-11-8-14)12-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyBNALUPMXLPYUFC-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.63
Rot. Bonds6

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

N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (PubChem CID 65479183) has the molecular formula C16H24INO and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
PubChem CID65479183
Molecular FormulaC16H24INO
Molecular Weight373.28 g/mol
Exact Mass373.09
IUPAC NameN-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)C1CCOCC1
InChIInChI=1S/C16H24INO/c1-2-9-18-16(14-7-10-19-11-8-14)12-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3
InChIKeyBNALUPMXLPYUFC-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115864188
N-[2-(5-ethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 79748470
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine (CID 65479183) is N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(I)cc1)C1CCOCC1.
What is the InChIKey of N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
The InChIKey is BNALUPMXLPYUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24INO/c1-2-9-18-16(14-7-10-19-11-8-14)12-13-3-5-15(17)6-4-13/h3-6,14,16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine?
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine has a molecular weight of 373.28 g/mol, XLogP of 3.63, 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-(oxan-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65479183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).