(1S)-1-(4-methoxyphenyl)ethanamine

C9H13NO — CID 793467

IUPAC(1S)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)N)cc1
InChIInChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1
InChIKeyJTDGKQNNPKXKII-ZETCQYMHSA-N
MW151.21 g/mol
LogP1.71
Rot. Bonds2

About (1S)-1-(4-methoxyphenyl)ethanamine

(1S)-1-(4-methoxyphenyl)ethanamine (PubChem CID 793467) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)ethanamine
PubChem CID793467
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1S)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)N)cc1
InChIInChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1
InChIKeyJTDGKQNNPKXKII-ZETCQYMHSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.71
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)ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)ethanamine (CID 793467) is (1S)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JTDGKQNNPKXKII-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)ethanamine?
(1S)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 793467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).