3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol

C15H22BrNO2 — CID 62468345

IUPAC3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCOc1ccc(Br)cc1CN1CCCC1CCCO
InChIInChI=1S/C15H22BrNO2/c1-19-15-7-6-13(16)10-12(15)11-17-8-2-4-14(17)5-3-9-18/h6-7,10,14,18H,2-5,8-9,11H2,1H3
InChIKeyRSLKRJKSUQHSBW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.19
Rot. Bonds6

About 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468345) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62468345
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCOc1ccc(Br)cc1CN1CCCC1CCCO
InChIInChI=1S/C15H22BrNO2/c1-19-15-7-6-13(16)10-12(15)11-17-8-2-4-14(17)5-3-9-18/h6-7,10,14,18H,2-5,8-9,11H2,1H3
InChIKeyRSLKRJKSUQHSBW-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
3-[1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62467283
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-bromopropyl)pyrrolidine
CID 112747899
3-[1-[(4-bromo-2-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 114382509
2-[1-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 44827876
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
3-[1-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62466930
3-amino-N-[[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581253
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103045

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62468345) is 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol is COc1ccc(Br)cc1CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RSLKRJKSUQHSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-19-15-7-6-13(16)10-12(15)11-17-8-2-4-14(17)5-3-9-18/h6-7,10,14,18H,2-5,8-9,11H2,1H3.
What are the key properties of 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).