N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine

C14H22N2O — CID 82739350

IUPACN-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCc1ccc(N)c(CN(C)C2CCOC2C)c1
InChIInChI=1S/C14H22N2O/c1-10-4-5-13(15)12(8-10)9-16(3)14-6-7-17-11(14)2/h4-5,8,11,14H,6-7,9,15H2,1-3H3
InChIKeyJVVXYDLQQHVFTF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds3

About N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine

N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82739350) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine
PubChem CID82739350
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine
SMILESCc1ccc(N)c(CN(C)C2CCOC2C)c1
InChIInChI=1S/C14H22N2O/c1-10-4-5-13(15)12(8-10)9-16(3)14-6-7-17-11(14)2/h4-5,8,11,14H,6-7,9,15H2,1-3H3
InChIKeyJVVXYDLQQHVFTF-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine (CID 82739350) is N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine is Cc1ccc(N)c(CN(C)C2CCOC2C)c1.
What is the InChIKey of N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is JVVXYDLQQHVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-13(15)12(8-10)9-16(3)14-6-7-17-11(14)2/h4-5,8,11,14H,6-7,9,15H2,1-3H3.
What are the key properties of N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine?
N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-methylphenyl)methyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).