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

C17H21NO — CID 11609001

IUPACN-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCCNCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-18-13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyVBLBIAWSAPYGJP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.42
Rot. Bonds7

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

N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 11609001) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
PubChem CID11609001
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESCCNCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-2-18-13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyVBLBIAWSAPYGJP-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine (CID 11609001) is N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine is CCNCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is VBLBIAWSAPYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-18-13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3.
What are the key properties of N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine?
N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 11609001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).