N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine

C14H22N2O — CID 82742719

IUPACN,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
SMILESCNCc1ccc(N(C)C2CCOC2C)cc1
InChIInChI=1S/C14H22N2O/c1-11-14(8-9-17-11)16(3)13-6-4-12(5-7-13)10-15-2/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyZRESWEQHWBWAQG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds4

About N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine

N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine (PubChem CID 82742719) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
PubChem CID82742719
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
SMILESCNCc1ccc(N(C)C2CCOC2C)cc1
InChIInChI=1S/C14H22N2O/c1-11-14(8-9-17-11)16(3)13-6-4-12(5-7-13)10-15-2/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyZRESWEQHWBWAQG-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine?
The IUPAC name of N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine (CID 82742719) is N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine.
What is the SMILES notation for N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine?
The canonical SMILES for N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine is CNCc1ccc(N(C)C2CCOC2C)cc1.
What is the InChIKey of N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine?
The InChIKey is ZRESWEQHWBWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-14(8-9-17-11)16(3)13-6-4-12(5-7-13)10-15-2/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine?
N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine is sourced from PubChem (CID 82742719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).