formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine

C16H15NO — CID 174387079

IUPACformaldehyde;[4-(2-phenylethynyl)phenyl]methanamine
SMILESC=O.NCc1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C15H13N.CH2O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;1-2/h1-5,8-11H,12,16H2;1H2
InChIKeyMJRUSSOEORQIOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.36
Rot. Bonds1

About formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine

formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine (PubChem CID 174387079) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine.

Molecular Properties

Compound Nameformaldehyde;[4-(2-phenylethynyl)phenyl]methanamine
PubChem CID174387079
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Nameformaldehyde;[4-(2-phenylethynyl)phenyl]methanamine
SMILESC=O.NCc1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C15H13N.CH2O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;1-2/h1-5,8-11H,12,16H2;1H2
InChIKeyMJRUSSOEORQIOS-UHFFFAOYSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine?
The IUPAC name of formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine (CID 174387079) is formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine.
What is the SMILES notation for formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine?
The canonical SMILES for formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine is C=O.NCc1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine?
The InChIKey is MJRUSSOEORQIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.CH2O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13;1-2/h1-5,8-11H,12,16H2;1H2.
What are the key properties of formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine?
formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;[4-(2-phenylethynyl)phenyl]methanamine is sourced from PubChem (CID 174387079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).