2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine

C17H28N2O — CID 103465084

IUPAC2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine
SMILESCCN(C(COC)c1ccccc1)C1CCCC1CN
InChIInChI=1S/C17H28N2O/c1-3-19(16-11-7-10-15(16)12-18)17(13-20-2)14-8-5-4-6-9-14/h4-6,8-9,15-17H,3,7,10-13,18H2,1-2H3
InChIKeyHEZYHZDZALSFTG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.82
Rot. Bonds7

About 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine

2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine (PubChem CID 103465084) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine
PubChem CID103465084
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine
SMILESCCN(C(COC)c1ccccc1)C1CCCC1CN
InChIInChI=1S/C17H28N2O/c1-3-19(16-11-7-10-15(16)12-18)17(13-20-2)14-8-5-4-6-9-14/h4-6,8-9,15-17H,3,7,10-13,18H2,1-2H3
InChIKeyHEZYHZDZALSFTG-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine (CID 103465084) is 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine is CCN(C(COC)c1ccccc1)C1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine?
The InChIKey is HEZYHZDZALSFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(16-11-7-10-15(16)12-18)17(13-20-2)14-8-5-4-6-9-14/h4-6,8-9,15-17H,3,7,10-13,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine?
2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-methoxy-1-phenylethyl)cyclopentan-1-amine is sourced from PubChem (CID 103465084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).