N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C14H17ClINO2 — CID 107634963

IUPACN-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESClc1ccc(NC2CCOC3(CCOC3)C2)c(I)c1
InChIInChI=1S/C14H17ClINO2/c15-10-1-2-13(12(16)7-10)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeyPLDFRDQNJWNVEB-UHFFFAOYSA-N
MW393.65 g/mol
LogP3.69
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 107634963) has the molecular formula C14H17ClINO2 and a molecular weight of 393.65 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID107634963
Molecular FormulaC14H17ClINO2
Molecular Weight393.65 g/mol
Exact Mass393.00
IUPAC NameN-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESClc1ccc(NC2CCOC3(CCOC3)C2)c(I)c1
InChIInChI=1S/C14H17ClINO2/c15-10-1-2-13(12(16)7-10)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2
InChIKeyPLDFRDQNJWNVEB-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 107634963) is N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Clc1ccc(NC2CCOC3(CCOC3)C2)c(I)c1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is PLDFRDQNJWNVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClINO2/c15-10-1-2-13(12(16)7-10)17-11-3-5-19-14(8-11)4-6-18-9-14/h1-2,7,11,17H,3-6,8-9H2.
What are the key properties of N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 393.65 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107634963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).