1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol

C17H26BrNO2 — CID 102947830

IUPAC1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCCCNC(C)c1ccc(Br)cc1OCC1(O)CCCC1
InChIInChI=1S/C17H26BrNO2/c1-3-10-19-13(2)15-7-6-14(18)11-16(15)21-12-17(20)8-4-5-9-17/h6-7,11,13,19-20H,3-5,8-10,12H2,1-2H3
InChIKeyLREQUBPTQNHCLX-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.19
Rot. Bonds7

About 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol

1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol (PubChem CID 102947830) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
PubChem CID102947830
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCCCNC(C)c1ccc(Br)cc1OCC1(O)CCCC1
InChIInChI=1S/C17H26BrNO2/c1-3-10-19-13(2)15-7-6-14(18)11-16(15)21-12-17(20)8-4-5-9-17/h6-7,11,13,19-20H,3-5,8-10,12H2,1-2H3
InChIKeyLREQUBPTQNHCLX-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211126
1-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 102949274
1-[5-bromo-2-[1-(propylamino)ethyl]phenoxy]propan-2-ol
CID 102947867
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-[[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004930
N-[1-(4-bromo-2-phenoxyphenyl)ethyl]propan-1-amine
CID 82975716
N-[1-[4-bromo-2-(furan-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82975485
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
N-[1-[4-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 102947838
1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 82000030
2-[4-bromo-2-[1-(propylamino)ethyl]phenoxy]-N-ethylacetamide
CID 62393036

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol (CID 102947830) is 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol is CCCNC(C)c1ccc(Br)cc1OCC1(O)CCCC1.
What is the InChIKey of 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is LREQUBPTQNHCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-10-19-13(2)15-7-6-14(18)11-16(15)21-12-17(20)8-4-5-9-17/h6-7,11,13,19-20H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 356.30 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 102947830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).