N-methyl-2-(4-phenylmethoxyphenyl)ethanamine

C16H19NO — CID 11594299

IUPACN-methyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCNCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-17-12-11-14-7-9-16(10-8-14)18-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyBRJKEMHRRBVZST-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.03
Rot. Bonds6

About N-methyl-2-(4-phenylmethoxyphenyl)ethanamine

N-methyl-2-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 11594299) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-2-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-phenylmethoxyphenyl)ethanamine
PubChem CID11594299
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-methyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCNCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-17-12-11-14-7-9-16(10-8-14)18-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyBRJKEMHRRBVZST-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of N-methyl-2-(4-phenylmethoxyphenyl)ethanamine (CID 11594299) is N-methyl-2-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-phenylmethoxyphenyl)ethanamine is CNCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-methyl-2-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is BRJKEMHRRBVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17-12-11-14-7-9-16(10-8-14)18-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3.
What are the key properties of N-methyl-2-(4-phenylmethoxyphenyl)ethanamine?
N-methyl-2-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 11594299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).