2-[3-(methoxymethyl)phenyl]propan-2-amine

C11H17NO — CID 117278171

IUPAC2-[3-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cccc(C(C)(C)N)c1
InChIInChI=1S/C11H17NO/c1-11(2,12)10-6-4-5-9(7-10)8-13-3/h4-7H,8,12H2,1-3H3
InChIKeyCZJKEPJJQIDTDC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds3

About 2-[3-(methoxymethyl)phenyl]propan-2-amine

2-[3-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117278171) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117278171
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[3-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cccc(C(C)(C)N)c1
InChIInChI=1S/C11H17NO/c1-11(2,12)10-6-4-5-9(7-10)8-13-3/h4-7H,8,12H2,1-3H3
InChIKeyCZJKEPJJQIDTDC-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]propan-2-amine (CID 117278171) is 2-[3-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]propan-2-amine is COCc1cccc(C(C)(C)N)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is CZJKEPJJQIDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,12)10-6-4-5-9(7-10)8-13-3/h4-7H,8,12H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)phenyl]propan-2-amine?
2-[3-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117278171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).