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

C14H19BrFNO — CID 79673427

IUPAC3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFNO/c15-12-7-11(8-13(16)9-12)10-17-5-1-3-14(17)4-2-6-18/h7-9,14,18H,1-6,10H2
InChIKeyBDZCKGUALCPFMT-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.33
Rot. Bonds5

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

3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 79673427) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID79673427
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFNO/c15-12-7-11(8-13(16)9-12)10-17-5-1-3-14(17)4-2-6-18/h7-9,14,18H,1-6,10H2
InChIKeyBDZCKGUALCPFMT-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-2-(2-chloropropyl)pyrrolidine
CID 112747891
3-[1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 64769785
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340107
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 111462081
3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468345
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
3-[1-[(4-bromo-2-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 114382509
[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 112645998
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 79673427) is 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1cc(F)cc(Br)c1.
What is the InChIKey of 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BDZCKGUALCPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-12-7-11(8-13(16)9-12)10-17-5-1-3-14(17)4-2-6-18/h7-9,14,18H,1-6,10H2.
What are the key properties of 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 316.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 79673427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).