(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine

C17H20BrNO — CID 68850908

IUPAC(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine
SMILESCC[C@@]1(COc2ccc3cc(Br)ccc3c2)CCCN1
InChIInChI=1S/C17H20BrNO/c1-2-17(8-3-9-19-17)12-20-16-7-5-13-10-15(18)6-4-14(13)11-16/h4-7,10-11,19H,2-3,8-9,12H2,1H3/t17-/m0/s1
InChIKeyIGJBJAHIQJIQJW-KRWDZBQOSA-N
MW334.26 g/mol
LogP4.51
Rot. Bonds4

About (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine

(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine (PubChem CID 68850908) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine
PubChem CID68850908
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine
SMILESCC[C@@]1(COc2ccc3cc(Br)ccc3c2)CCCN1
InChIInChI=1S/C17H20BrNO/c1-2-17(8-3-9-19-17)12-20-16-7-5-13-10-15(18)6-4-14(13)11-16/h4-7,10-11,19H,2-3,8-9,12H2,1H3/t17-/m0/s1
InChIKeyIGJBJAHIQJIQJW-KRWDZBQOSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine?
The IUPAC name of (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine (CID 68850908) is (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine.
What is the SMILES notation for (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine?
The canonical SMILES for (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine is CC[C@@]1(COc2ccc3cc(Br)ccc3c2)CCCN1.
What is the InChIKey of (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine?
The InChIKey is IGJBJAHIQJIQJW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-2-17(8-3-9-19-17)12-20-16-7-5-13-10-15(18)6-4-14(13)11-16/h4-7,10-11,19H,2-3,8-9,12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine?
(2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine has a molecular weight of 334.26 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-ethylpyrrolidine is sourced from PubChem (CID 68850908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).