N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine

C14H22N2O — CID 63558781

IUPACN-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
SMILESCC(C)N(Cc1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H22N2O/c1-11(2)16(14-6-7-17-10-14)9-12-4-3-5-13(15)8-12/h3-5,8,11,14H,6-7,9-10,15H2,1-2H3
InChIKeySJSADVFSHQNXOO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine

N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine (PubChem CID 63558781) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
PubChem CID63558781
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
SMILESCC(C)N(Cc1cccc(N)c1)C1CCOC1
InChIInChI=1S/C14H22N2O/c1-11(2)16(14-6-7-17-10-14)9-12-4-3-5-13(15)8-12/h3-5,8,11,14H,6-7,9-10,15H2,1-2H3
InChIKeySJSADVFSHQNXOO-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 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 ≤ 52.27
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-propan-2-yloxolan-3-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine (CID 63558781) is N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine is CC(C)N(Cc1cccc(N)c1)C1CCOC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine?
The InChIKey is SJSADVFSHQNXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16(14-6-7-17-10-14)9-12-4-3-5-13(15)8-12/h3-5,8,11,14H,6-7,9-10,15H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine?
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 4 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-propan-2-yloxolan-3-amine is sourced from PubChem (CID 63558781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).