1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol

C17H26BrNO2 — CID 103156520

IUPAC1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
SMILESCCNCc1cccc(Br)c1OCC(O)CC1CCCC1
InChIInChI=1S/C17H26BrNO2/c1-2-19-11-14-8-5-9-16(18)17(14)21-12-15(20)10-13-6-3-4-7-13/h5,8-9,13,15,19-20H,2-4,6-7,10-12H2,1H3
InChIKeyRRVJJKAMKLWXRH-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.88
Rot. Bonds8

About 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol

1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol (PubChem CID 103156520) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
PubChem CID103156520
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
SMILESCCNCc1cccc(Br)c1OCC(O)CC1CCCC1
InChIInChI=1S/C17H26BrNO2/c1-2-19-11-14-8-5-9-16(18)17(14)21-12-15(20)10-13-6-3-4-7-13/h5,8-9,13,15,19-20H,2-4,6-7,10-12H2,1H3
InChIKeyRRVJJKAMKLWXRH-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156828
1-[2-bromo-6-(methylaminomethyl)phenoxy]butan-2-ol
CID 61390227
3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 61390121
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
N-[[3-bromo-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494105
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol (CID 103156520) is 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol is CCNCc1cccc(Br)c1OCC(O)CC1CCCC1.
What is the InChIKey of 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
The InChIKey is RRVJJKAMKLWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-2-19-11-14-8-5-9-16(18)17(14)21-12-15(20)10-13-6-3-4-7-13/h5,8-9,13,15,19-20H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol has a molecular weight of 356.30 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103156520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).