4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine

C15H24N2O — CID 65379219

IUPAC4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
SMILESCCC1CC(CN)(Nc2ccc(C)cc2)CCO1
InChIInChI=1S/C15H24N2O/c1-3-14-10-15(11-16,8-9-18-14)17-13-6-4-12(2)5-7-13/h4-7,14,17H,3,8-11,16H2,1-2H3
InChIKeyBXKGLZLYMKHEAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds4

About 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine

4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine (PubChem CID 65379219) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
PubChem CID65379219
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
SMILESCCC1CC(CN)(Nc2ccc(C)cc2)CCO1
InChIInChI=1S/C15H24N2O/c1-3-14-10-15(11-16,8-9-18-14)17-13-6-4-12(2)5-7-13/h4-7,14,17H,3,8-11,16H2,1-2H3
InChIKeyBXKGLZLYMKHEAU-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine (CID 65379219) is 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine is CCC1CC(CN)(Nc2ccc(C)cc2)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine?
The InChIKey is BXKGLZLYMKHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14-10-15(11-16,8-9-18-14)17-13-6-4-12(2)5-7-13/h4-7,14,17H,3,8-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine?
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine is sourced from PubChem (CID 65379219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).