1-[4-(methoxymethyl)phenyl]propan-2-amine

C11H17NO — CID 21076335

IUPAC1-[4-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1ccc(CC(C)N)cc1
InChIInChI=1S/C11H17NO/c1-9(12)7-10-3-5-11(6-4-10)8-13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyBCRJIBPTEHWDCK-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.72
Rot. Bonds4

About 1-[4-(methoxymethyl)phenyl]propan-2-amine

1-[4-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 21076335) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]propan-2-amine
PubChem CID21076335
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[4-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1ccc(CC(C)N)cc1
InChIInChI=1S/C11H17NO/c1-9(12)7-10-3-5-11(6-4-10)8-13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyBCRJIBPTEHWDCK-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]propan-2-amine (CID 21076335) is 1-[4-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]propan-2-amine is COCc1ccc(CC(C)N)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is BCRJIBPTEHWDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(12)7-10-3-5-11(6-4-10)8-13-2/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]propan-2-amine?
1-[4-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 179.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 21076335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).