N-ethyl-1-(4-iodophenyl)pentan-1-amine

C13H20IN — CID 115832720

IUPACN-ethyl-1-(4-iodophenyl)pentan-1-amine
SMILESCCCCC(NCC)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-3-5-6-13(15-4-2)11-7-9-12(14)10-8-11/h7-10,13,15H,3-6H2,1-2H3
InChIKeySMQSLXOXFHPSML-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.13
Rot. Bonds6

About N-ethyl-1-(4-iodophenyl)pentan-1-amine

N-ethyl-1-(4-iodophenyl)pentan-1-amine (PubChem CID 115832720) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is N-ethyl-1-(4-iodophenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-iodophenyl)pentan-1-amine
PubChem CID115832720
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC NameN-ethyl-1-(4-iodophenyl)pentan-1-amine
SMILESCCCCC(NCC)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-3-5-6-13(15-4-2)11-7-9-12(14)10-8-11/h7-10,13,15H,3-6H2,1-2H3
InChIKeySMQSLXOXFHPSML-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
N-ethyl-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
1-(4-iodophenyl)octylhydrazine
CID 105293657
N-ethyl-1-(3-iodophenyl)hexan-1-amine
CID 115837554
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-iodophenyl)pentan-1-amine?
The IUPAC name of N-ethyl-1-(4-iodophenyl)pentan-1-amine (CID 115832720) is N-ethyl-1-(4-iodophenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-iodophenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-iodophenyl)pentan-1-amine is CCCCC(NCC)c1ccc(I)cc1.
What is the InChIKey of N-ethyl-1-(4-iodophenyl)pentan-1-amine?
The InChIKey is SMQSLXOXFHPSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-3-5-6-13(15-4-2)11-7-9-12(14)10-8-11/h7-10,13,15H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-(4-iodophenyl)pentan-1-amine?
N-ethyl-1-(4-iodophenyl)pentan-1-amine has a molecular weight of 317.21 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-iodophenyl)pentan-1-amine is sourced from PubChem (CID 115832720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).