(1S)-1-(4-methoxyphenyl)propan-1-amine

C10H15NO — CID 2496556

IUPAC(1S)-1-(4-methoxyphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(OC)cc1
InChIInChI=1S/C10H15NO/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3/t10-/m0/s1
InChIKeyWOEIOKRLEJXFEF-JTQLQIEISA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds3

About (1S)-1-(4-methoxyphenyl)propan-1-amine

(1S)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 2496556) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID2496556
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S)-1-(4-methoxyphenyl)propan-1-amine
SMILESCC[C@H](N)c1ccc(OC)cc1
InChIInChI=1S/C10H15NO/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3/t10-/m0/s1
InChIKeyWOEIOKRLEJXFEF-JTQLQIEISA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)propan-1-amine (CID 2496556) is (1S)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)propan-1-amine is CC[C@H](N)c1ccc(OC)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is WOEIOKRLEJXFEF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15NO/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3,11H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)propan-1-amine?
(1S)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 2496556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).