N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine

C15H22N2O — CID 107135009

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine
SMILESNc1ccc(CN(C2CC2)C2CCCOC2)cc1
InChIInChI=1S/C15H22N2O/c16-13-5-3-12(4-6-13)10-17(14-7-8-14)15-2-1-9-18-11-15/h3-6,14-15H,1-2,7-11,16H2
InChIKeyYJETXFNTFOOXGV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine

N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine (PubChem CID 107135009) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine
PubChem CID107135009
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine
SMILESNc1ccc(CN(C2CC2)C2CCCOC2)cc1
InChIInChI=1S/C15H22N2O/c16-13-5-3-12(4-6-13)10-17(14-7-8-14)15-2-1-9-18-11-15/h3-6,14-15H,1-2,7-11,16H2
InChIKeyYJETXFNTFOOXGV-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine (CID 107135009) is N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine is Nc1ccc(CN(C2CC2)C2CCCOC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine?
The InChIKey is YJETXFNTFOOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-13-5-3-12(4-6-13)10-17(14-7-8-14)15-2-1-9-18-11-15/h3-6,14-15H,1-2,7-11,16H2.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine?
N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine has a molecular weight of 246.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine is sourced from PubChem (CID 107135009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).