[2-(propan-2-yloxymethyl)phenyl]methanamine

C11H17NO — CID 18070374

IUPAC[2-(propan-2-yloxymethyl)phenyl]methanamine
SMILESCC(C)OCc1ccccc1CN
InChIInChI=1S/C11H17NO/c1-9(2)13-8-11-6-4-3-5-10(11)7-12/h3-6,9H,7-8,12H2,1-2H3
InChIKeyRCGPYNYIKTWLFA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.07
Rot. Bonds4

About [2-(propan-2-yloxymethyl)phenyl]methanamine

[2-(propan-2-yloxymethyl)phenyl]methanamine (PubChem CID 18070374) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [2-(propan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(propan-2-yloxymethyl)phenyl]methanamine
PubChem CID18070374
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[2-(propan-2-yloxymethyl)phenyl]methanamine
SMILESCC(C)OCc1ccccc1CN
InChIInChI=1S/C11H17NO/c1-9(2)13-8-11-6-4-3-5-10(11)7-12/h3-6,9H,7-8,12H2,1-2H3
InChIKeyRCGPYNYIKTWLFA-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
CID 103487025
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
[2-(propan-2-yloxymethyl)phenyl]methylidenehydrazine
CID 168529363
[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 107114173
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
2-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene
CID 70797828
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242

Frequently Asked Questions

What is the IUPAC name of [2-(propan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [2-(propan-2-yloxymethyl)phenyl]methanamine (CID 18070374) is [2-(propan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(propan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(propan-2-yloxymethyl)phenyl]methanamine is CC(C)OCc1ccccc1CN.
What is the InChIKey of [2-(propan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is RCGPYNYIKTWLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)13-8-11-6-4-3-5-10(11)7-12/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of [2-(propan-2-yloxymethyl)phenyl]methanamine?
[2-(propan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 18070374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).