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

C15H20ClNO2 — CID 79898115

IUPACN-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1ccc(NC2CCOC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11-2-3-14(13(16)8-11)17-12-4-6-19-15(9-12)5-7-18-10-15/h2-3,8,12,17H,4-7,9-10H2,1H3
InChIKeyOETXFPHZXKEHCF-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.40
Rot. Bonds2

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

N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79898115) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79898115
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1ccc(NC2CCOC3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-11-2-3-14(13(16)8-11)17-12-4-6-19-15(9-12)5-7-18-10-15/h2-3,8,12,17H,4-7,9-10H2,1H3
InChIKeyOETXFPHZXKEHCF-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(2-bromo-4-methylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898446
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904002
3-N-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methylbenzene-1,3-diamine
CID 138684089
N-(2,4-dimethylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898292
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106865081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79898115) is N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Cc1ccc(NC2CCOC3(CCOC3)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is OETXFPHZXKEHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-2-3-14(13(16)8-11)17-12-4-6-19-15(9-12)5-7-18-10-15/h2-3,8,12,17H,4-7,9-10H2,1H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 281.78 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).