(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

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Related Compounds

7-Benzyloxy-8-bromo-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10472780
1-[(6-Bromo-2-naphthyl)oxy]-3-(1-pyrrolidinyl)-2-propanol
CID 2957321
1-{[(6-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 2994958
[3-(3-Bromo-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359122
[3-(4-Bromo-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359318
2-methyl-N-(2-naphthalen-2-yloxyethyl)propan-2-amine
CID 2262132
(S)-2-(Naphthalen-2-yloxymethyl)-pyrrolidine
CID 9877936
1-(6-Bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-3-yl)methylamino]propan-2-ol
CID 73346617
1-(6-Bromonaphthalen-2-yl)oxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 73349663
N-{2-[(1-Bromo-2-naphthyl)oxy]ethyl}-3-methoxypropan-1-amine
CID 2060270
(S)-2-(Naphthalen-1-yloxymethyl)-pyrrolidine
CID 44313461
1-(6-Bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)propan-2-ol
CID 43343228

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).