N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine

C14H22N2O — CID 63559150

IUPACN-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
SMILESCCCN(Cc1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H22N2O/c1-2-7-16(14-6-8-17-11-14)10-12-4-3-5-13(15)9-12/h3-5,9,14H,2,6-8,10-11,15H2,1H3
InChIKeyWTZVPQPTSMVKQD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine

N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine (PubChem CID 63559150) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
PubChem CID63559150
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
SMILESCCCN(Cc1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H22N2O/c1-2-7-16(14-6-8-17-11-14)10-12-4-3-5-13(15)9-12/h3-5,9,14H,2,6-8,10-11,15H2,1H3
InChIKeyWTZVPQPTSMVKQD-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
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-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine (CID 63559150) is N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine is CCCN(Cc1cccc(N)c1)C1CCOC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine?
The InChIKey is WTZVPQPTSMVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-7-16(14-6-8-17-11-14)10-12-4-3-5-13(15)9-12/h3-5,9,14H,2,6-8,10-11,15H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine?
N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 63559150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).