[2-(methoxymethyl)phenyl]methanamine

C9H13NO — CID 12628891

IUPAC[2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccccc1CN
InChIInChI=1S/C9H13NO/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5H,6-7,10H2,1H3
InChIKeyNHRIWUULBXVLFS-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.29
Rot. Bonds3

About [2-(methoxymethyl)phenyl]methanamine

[2-(methoxymethyl)phenyl]methanamine (PubChem CID 12628891) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]methanamine
PubChem CID12628891
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name[2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccccc1CN
InChIInChI=1S/C9H13NO/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5H,6-7,10H2,1H3
InChIKeyNHRIWUULBXVLFS-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]methanamine?
The IUPAC name of [2-(methoxymethyl)phenyl]methanamine (CID 12628891) is [2-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(methoxymethyl)phenyl]methanamine is COCc1ccccc1CN.
What is the InChIKey of [2-(methoxymethyl)phenyl]methanamine?
The InChIKey is NHRIWUULBXVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5H,6-7,10H2,1H3.
What are the key properties of [2-(methoxymethyl)phenyl]methanamine?
[2-(methoxymethyl)phenyl]methanamine has a molecular weight of 151.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 12628891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).