3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine

C17H25NO — CID 55014186

IUPAC3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCC3CCCCO3)C2)cc1
InChIInChI=1S/C17H25NO/c1-13-5-7-14(8-6-13)15-10-16(11-15)18-12-17-4-2-3-9-19-17/h5-8,15-18H,2-4,9-12H2,1H3
InChIKeyNDHWTAGPOBCDGA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.40
Rot. Bonds4

About 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine

3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine (PubChem CID 55014186) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
PubChem CID55014186
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCC3CCCCO3)C2)cc1
InChIInChI=1S/C17H25NO/c1-13-5-7-14(8-6-13)15-10-16(11-15)18-12-17-4-2-3-9-19-17/h5-8,15-18H,2-4,9-12H2,1H3
InChIKeyNDHWTAGPOBCDGA-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine (CID 55014186) is 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCC3CCCCO3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
The InChIKey is NDHWTAGPOBCDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-7-14(8-6-13)15-10-16(11-15)18-12-17-4-2-3-9-19-17/h5-8,15-18H,2-4,9-12H2,1H3.
What are the key properties of 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine?
3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 55014186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).