N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine

C15H17NO — CID 738564

IUPACN-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyWZUBICZIDUTTNJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.98
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine

N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 738564) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID738564
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyWZUBICZIDUTTNJ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine (CID 738564) is N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine is COc1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is WZUBICZIDUTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine?
N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 738564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).