1-phenylethanone;phenylmethanamine

C15H17NO — CID 174700909

IUPAC1-phenylethanone;phenylmethanamine
SMILESCC(=O)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C8H8O.C7H9N/c1-7(9)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-6H,1H3;1-5H,6,8H2
InChIKeyXPCAFCXONYQDMZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.03
Rot. Bonds2

About 1-phenylethanone;phenylmethanamine

1-phenylethanone;phenylmethanamine (PubChem CID 174700909) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-phenylethanone;phenylmethanamine.

Molecular Properties

Compound Name1-phenylethanone;phenylmethanamine
PubChem CID174700909
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-phenylethanone;phenylmethanamine
SMILESCC(=O)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C8H8O.C7H9N/c1-7(9)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-6H,1H3;1-5H,6,8H2
InChIKeyXPCAFCXONYQDMZ-UHFFFAOYSA-N
XLogP3.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
benzoic acid;ethanamine;ethane;bis(1-phenylethanone)
CID 161498622
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
phenylmethanamine
CID 19864074
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
ethane;phenylmethanamine;vanadium
CID 158602574

Frequently Asked Questions

What is the IUPAC name of 1-phenylethanone;phenylmethanamine?
The IUPAC name of 1-phenylethanone;phenylmethanamine (CID 174700909) is 1-phenylethanone;phenylmethanamine.
What is the SMILES notation for 1-phenylethanone;phenylmethanamine?
The canonical SMILES for 1-phenylethanone;phenylmethanamine is CC(=O)c1ccccc1.NCc1ccccc1.
What is the InChIKey of 1-phenylethanone;phenylmethanamine?
The InChIKey is XPCAFCXONYQDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H9N/c1-7(9)8-5-3-2-4-6-8;8-6-7-4-2-1-3-5-7/h2-6H,1H3;1-5H,6,8H2.
What are the key properties of 1-phenylethanone;phenylmethanamine?
1-phenylethanone;phenylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanone;phenylmethanamine is sourced from PubChem (CID 174700909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).