N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine

C17H20INO — CID 43479752

IUPACN-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C17H20INO/c1-3-12-19-13(2)14-8-10-15(11-9-14)20-17-7-5-4-6-16(17)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyLUAIWYUAXWBACV-UHFFFAOYSA-N
MW381.26 g/mol
LogP5.14
Rot. Bonds6

About N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine

N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43479752) has the molecular formula C17H20INO and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID43479752
Molecular FormulaC17H20INO
Molecular Weight381.26 g/mol
Exact Mass381.06
IUPAC NameN-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C17H20INO/c1-3-12-19-13(2)14-8-10-15(11-9-14)20-17-7-5-4-6-16(17)18/h4-11,13,19H,3,12H2,1-2H3
InChIKeyLUAIWYUAXWBACV-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.14
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-ethyl-1-[4-(2-iodophenoxy)phenyl]ethanamine
CID 43479753
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
N-[1-[2-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285908
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
CID 79167101
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285515
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62698763
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine (CID 43479752) is N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2ccccc2I)cc1.
What is the InChIKey of N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is LUAIWYUAXWBACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO/c1-3-12-19-13(2)14-8-10-15(11-9-14)20-17-7-5-4-6-16(17)18/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 381.26 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43479752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).