1-Phenethylamine, (-)-

C8H11N — CID 75818

IUPAC(1S)-1-phenylethanamine
SMILESC[C@@H](C1=CC=CC=C1)N
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKeyRQEUFEKYXDPUSK-ZETCQYMHSA-N
MW121.18 g/mol
LogP1.20
Rot. Bonds1

About 1-Phenethylamine, (-)-

1-Phenethylamine, (-)- (PubChem CID 75818) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (1S)-1-phenylethanamine.

Molecular Properties

Compound Name1-Phenethylamine, (-)-
PubChem CID75818
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(1S)-1-phenylethanamine
SMILESC[C@@H](C1=CC=CC=C1)N
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKeyRQEUFEKYXDPUSK-ZETCQYMHSA-N
XLogP1.20
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity74

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-Phenethylamine, (-)-?
The IUPAC name of 1-Phenethylamine, (-)- (CID 75818) is (1S)-1-phenylethanamine.
What is the SMILES notation for 1-Phenethylamine, (-)-?
The canonical SMILES for 1-Phenethylamine, (-)- is C[C@@H](C1=CC=CC=C1)N.
What is the InChIKey of 1-Phenethylamine, (-)-?
The InChIKey is RQEUFEKYXDPUSK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1.
What are the key properties of 1-Phenethylamine, (-)-?
1-Phenethylamine, (-)- has a molecular weight of 121.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Phenethylamine, (-)- is sourced from PubChem (CID 75818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).