2-methoxy-3-phenylpropan-1-amine

C10H15NO — CID 45074956

IUPAC2-methoxy-3-phenylpropan-1-amine
SMILESCOC(CN)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKeyDIOGSRGTNMACOE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.20
Rot. Bonds4

About 2-methoxy-3-phenylpropan-1-amine

2-methoxy-3-phenylpropan-1-amine (PubChem CID 45074956) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methoxy-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-phenylpropan-1-amine
PubChem CID45074956
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methoxy-3-phenylpropan-1-amine
SMILESCOC(CN)Cc1ccccc1
InChIInChI=1S/C10H15NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKeyDIOGSRGTNMACOE-UHFFFAOYSA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-phenylpropan-1-amine?
The IUPAC name of 2-methoxy-3-phenylpropan-1-amine (CID 45074956) is 2-methoxy-3-phenylpropan-1-amine.
What is the SMILES notation for 2-methoxy-3-phenylpropan-1-amine?
The canonical SMILES for 2-methoxy-3-phenylpropan-1-amine is COC(CN)Cc1ccccc1.
What is the InChIKey of 2-methoxy-3-phenylpropan-1-amine?
The InChIKey is DIOGSRGTNMACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3.
What are the key properties of 2-methoxy-3-phenylpropan-1-amine?
2-methoxy-3-phenylpropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-phenylpropan-1-amine is sourced from PubChem (CID 45074956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).