phenylmethanamine;1-phenylpropylbenzene

C22H25N — CID 19985231

IUPACphenylmethanamine;1-phenylpropylbenzene
SMILESCCC(c1ccccc1)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C15H16.C7H9N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-6-7-4-2-1-3-5-7/h3-12,15H,2H2,1H3;1-5H,6,8H2
InChIKeyPJTIOUCLSSOISS-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.37
Rot. Bonds4

About phenylmethanamine;1-phenylpropylbenzene

phenylmethanamine;1-phenylpropylbenzene (PubChem CID 19985231) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is phenylmethanamine;1-phenylpropylbenzene.

Molecular Properties

Compound Namephenylmethanamine;1-phenylpropylbenzene
PubChem CID19985231
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Namephenylmethanamine;1-phenylpropylbenzene
SMILESCCC(c1ccccc1)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C15H16.C7H9N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-6-7-4-2-1-3-5-7/h3-12,15H,2H2,1H3;1-5H,6,8H2
InChIKeyPJTIOUCLSSOISS-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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sodium phenylmethanamine
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CID 174688914
CID 174688914
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Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;1-phenylpropylbenzene?
The IUPAC name of phenylmethanamine;1-phenylpropylbenzene (CID 19985231) is phenylmethanamine;1-phenylpropylbenzene.
What is the SMILES notation for phenylmethanamine;1-phenylpropylbenzene?
The canonical SMILES for phenylmethanamine;1-phenylpropylbenzene is CCC(c1ccccc1)c1ccccc1.NCc1ccccc1.
What is the InChIKey of phenylmethanamine;1-phenylpropylbenzene?
The InChIKey is PJTIOUCLSSOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C7H9N/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;8-6-7-4-2-1-3-5-7/h3-12,15H,2H2,1H3;1-5H,6,8H2.
What are the key properties of phenylmethanamine;1-phenylpropylbenzene?
phenylmethanamine;1-phenylpropylbenzene has a molecular weight of 303.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;1-phenylpropylbenzene is sourced from PubChem (CID 19985231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).