N-cyclopentyloxy-1-(4-iodophenyl)ethanamine

C13H18INO — CID 83229254

IUPACN-cyclopentyloxy-1-(4-iodophenyl)ethanamine
SMILESCC(NOC1CCCC1)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-10(11-6-8-12(14)9-7-11)15-16-13-4-2-3-5-13/h6-10,13,15H,2-5H2,1H3
InChIKeyGFTBDPTVHGAEST-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.82
Rot. Bonds4

About N-cyclopentyloxy-1-(4-iodophenyl)ethanamine

N-cyclopentyloxy-1-(4-iodophenyl)ethanamine (PubChem CID 83229254) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(4-iodophenyl)ethanamine
PubChem CID83229254
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC NameN-cyclopentyloxy-1-(4-iodophenyl)ethanamine
SMILESCC(NOC1CCCC1)c1ccc(I)cc1
InChIInChI=1S/C13H18INO/c1-10(11-6-8-12(14)9-7-11)15-16-13-4-2-3-5-13/h6-10,13,15H,2-5H2,1H3
InChIKeyGFTBDPTVHGAEST-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
N-cyclopentyloxy-1-(4-fluorophenyl)ethanamine
CID 83229680
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
N-cyclopentyloxy-1-pyridin-4-ylethanamine
CID 83229742
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
N-cyclopentyloxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83228556
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
N-(2-cyclohexylethyl)-1-(4-iodophenyl)ethanamine
CID 63448536
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(4-iodophenyl)ethanamine?
The IUPAC name of N-cyclopentyloxy-1-(4-iodophenyl)ethanamine (CID 83229254) is N-cyclopentyloxy-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(4-iodophenyl)ethanamine?
The canonical SMILES for N-cyclopentyloxy-1-(4-iodophenyl)ethanamine is CC(NOC1CCCC1)c1ccc(I)cc1.
What is the InChIKey of N-cyclopentyloxy-1-(4-iodophenyl)ethanamine?
The InChIKey is GFTBDPTVHGAEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-10(11-6-8-12(14)9-7-11)15-16-13-4-2-3-5-13/h6-10,13,15H,2-5H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(4-iodophenyl)ethanamine?
N-cyclopentyloxy-1-(4-iodophenyl)ethanamine has a molecular weight of 331.20 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 83229254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).