1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine

C21H21NO — CID 2756615

IUPAC1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine
SMILESc1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2
InChIKeyUDWWEWUMDPELDN-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.56
Rot. Bonds7

About 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine

1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine (PubChem CID 2756615) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine
PubChem CID2756615
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine
SMILESc1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2
InChIKeyUDWWEWUMDPELDN-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine (CID 2756615) is 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine is c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine?
The InChIKey is UDWWEWUMDPELDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-7-18(8-4-1)15-22-16-19-11-13-21(14-12-19)23-17-20-9-5-2-6-10-20/h1-14,22H,15-17H2.
What are the key properties of 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine?
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 2756615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).