N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine

C13H18ClNO — CID 165350899

IUPACN-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine
SMILESCc1ccc(Cl)c(NC2CCOC2(C)C)c1
InChIInChI=1S/C13H18ClNO/c1-9-4-5-10(14)11(8-9)15-12-6-7-16-13(12,2)3/h4-5,8,12,15H,6-7H2,1-3H3
InChIKeyZZNVJMMKHTXJMR-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.63
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine

N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine (PubChem CID 165350899) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine
PubChem CID165350899
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine
SMILESCc1ccc(Cl)c(NC2CCOC2(C)C)c1
InChIInChI=1S/C13H18ClNO/c1-9-4-5-10(14)11(8-9)15-12-6-7-16-13(12,2)3/h4-5,8,12,15H,6-7H2,1-3H3
InChIKeyZZNVJMMKHTXJMR-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine (CID 165350899) is N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine is Cc1ccc(Cl)c(NC2CCOC2(C)C)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine?
The InChIKey is ZZNVJMMKHTXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-4-5-10(14)11(8-9)15-12-6-7-16-13(12,2)3/h4-5,8,12,15H,6-7H2,1-3H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine?
N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine has a molecular weight of 239.75 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2,2-dimethyloxolan-3-amine is sourced from PubChem (CID 165350899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).