[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

C12H19NO — CID 28996105

IUPAC[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCC(C)(C)OCc1cccc(CN)c1
InChIInChI=1S/C12H19NO/c1-12(2,3)14-9-11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyIAYSBEGIEJQAPN-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.46
Rot. Bonds3

About [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (PubChem CID 28996105) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
PubChem CID28996105
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCC(C)(C)OCc1cccc(CN)c1
InChIInChI=1S/C12H19NO/c1-12(2,3)14-9-11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyIAYSBEGIEJQAPN-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (CID 28996105) is [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is CC(C)(C)OCc1cccc(CN)c1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The InChIKey is IAYSBEGIEJQAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)14-9-11-6-4-5-10(7-11)8-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 28996105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).