(1R)-1-phenylethanamine

C8H11N — CID 643189

IUPAC(1R)-1-phenylethanamine
SMILESC[C@@H](N)c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKeyRQEUFEKYXDPUSK-SSDOTTSWSA-N
MW121.18 g/mol
LogP1.71
Rot. Bonds1

About (1R)-1-phenylethanamine

(1R)-1-phenylethanamine (PubChem CID 643189) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (1R)-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-phenylethanamine
PubChem CID643189
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(1R)-1-phenylethanamine
SMILESC[C@@H](N)c1ccccc1
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKeyRQEUFEKYXDPUSK-SSDOTTSWSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenylethanamine?
The IUPAC name of (1R)-1-phenylethanamine (CID 643189) is (1R)-1-phenylethanamine.
What is the SMILES notation for (1R)-1-phenylethanamine?
The canonical SMILES for (1R)-1-phenylethanamine is C[C@@H](N)c1ccccc1.
What is the InChIKey of (1R)-1-phenylethanamine?
The InChIKey is RQEUFEKYXDPUSK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-phenylethanamine?
(1R)-1-phenylethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenylethanamine is sourced from PubChem (CID 643189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).