[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine

C15H24N2O — CID 114125954

IUPAC[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
SMILESCC1(CNCc2ccc(CN)cc2)CCOCC1
InChIInChI=1S/C15H24N2O/c1-15(6-8-18-9-7-15)12-17-11-14-4-2-13(10-16)3-5-14/h2-5,17H,6-12,16H2,1H3
InChIKeyGWLGPIOUSFPCDB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds5

About [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine

[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine (PubChem CID 114125954) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
PubChem CID114125954
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
SMILESCC1(CNCc2ccc(CN)cc2)CCOCC1
InChIInChI=1S/C15H24N2O/c1-15(6-8-18-9-7-15)12-17-11-14-4-2-13(10-16)3-5-14/h2-5,17H,6-12,16H2,1H3
InChIKeyGWLGPIOUSFPCDB-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine (CID 114125954) is [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine is CC1(CNCc2ccc(CN)cc2)CCOCC1.
What is the InChIKey of [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine?
The InChIKey is GWLGPIOUSFPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(6-8-18-9-7-15)12-17-11-14-4-2-13(10-16)3-5-14/h2-5,17H,6-12,16H2,1H3.
What are the key properties of [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine?
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 114125954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).