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

C15H24N2O — CID 107135005

IUPACN-[(4-aminophenyl)methyl]-N-propyloxan-3-amine
SMILESCCCN(Cc1ccc(N)cc1)C1CCCOC1
InChIInChI=1S/C15H24N2O/c1-2-9-17(15-4-3-10-18-12-15)11-13-5-7-14(16)8-6-13/h5-8,15H,2-4,9-12,16H2,1H3
InChIKeyBCCAQBODHZBXRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds5

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

N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine (PubChem CID 107135005) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-propyloxan-3-amine
PubChem CID107135005
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-aminophenyl)methyl]-N-propyloxan-3-amine
SMILESCCCN(Cc1ccc(N)cc1)C1CCCOC1
InChIInChI=1S/C15H24N2O/c1-2-9-17(15-4-3-10-18-12-15)11-13-5-7-14(16)8-6-13/h5-8,15H,2-4,9-12,16H2,1H3
InChIKeyBCCAQBODHZBXRH-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
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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Related Compounds

N-[(3-aminophenyl)methyl]-N-propyloxan-3-amine
CID 107135006
N-[(4-aminophenyl)methyl]-N-cyclopropyloxan-3-amine
CID 107135009
N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
CID 63559150
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
CID 79356213
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
4-[[cyclopropyl(3-ethylsulfonylpropyl)amino]methyl]aniline
CID 65093300
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
N-benzyl-N-(2-bromoethyl)oxolan-3-amine
CID 80680161
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine (CID 107135005) is N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine is CCCN(Cc1ccc(N)cc1)C1CCCOC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine?
The InChIKey is BCCAQBODHZBXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-9-17(15-4-3-10-18-12-15)11-13-5-7-14(16)8-6-13/h5-8,15H,2-4,9-12,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine?
N-[(4-aminophenyl)methyl]-N-propyloxan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 5 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-propyloxan-3-amine is sourced from PubChem (CID 107135005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).