1-phenylethanamine;toluene

C15H19N — CID 143029898

IUPAC1-phenylethanamine;toluene
SMILESCC(N)c1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H11N.C7H8/c1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7/h2-7H,9H2,1H3;2-6H,1H3
InChIKeyBGGPHSPLEDPUHX-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.70
Rot. Bonds1

About 1-phenylethanamine;toluene

1-phenylethanamine;toluene (PubChem CID 143029898) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-phenylethanamine;toluene.

Molecular Properties

Compound Name1-phenylethanamine;toluene
PubChem CID143029898
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-phenylethanamine;toluene
SMILESCC(N)c1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H11N.C7H8/c1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7/h2-7H,9H2,1H3;2-6H,1H3
InChIKeyBGGPHSPLEDPUHX-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-Benzylphenethylamine
CID 65055

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanamine;toluene?
The IUPAC name of 1-phenylethanamine;toluene (CID 143029898) is 1-phenylethanamine;toluene.
What is the SMILES notation for 1-phenylethanamine;toluene?
The canonical SMILES for 1-phenylethanamine;toluene is CC(N)c1ccccc1.Cc1ccccc1.
What is the InChIKey of 1-phenylethanamine;toluene?
The InChIKey is BGGPHSPLEDPUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H8/c1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7/h2-7H,9H2,1H3;2-6H,1H3.
What are the key properties of 1-phenylethanamine;toluene?
1-phenylethanamine;toluene has a molecular weight of 213.32 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanamine;toluene is sourced from PubChem (CID 143029898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).