2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol

C16H25BrN2O — CID 114797028

IUPAC2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1ccccc1Br)N1CCC(CCO)C1
InChIInChI=1S/C16H25BrN2O/c1-2-15(18)16(13-5-3-4-6-14(13)17)19-9-7-12(11-19)8-10-20/h3-6,12,15-16,20H,2,7-11,18H2,1H3
InChIKeyKYFTUDSSLGIZFK-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol

2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol (PubChem CID 114797028) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
PubChem CID114797028
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1ccccc1Br)N1CCC(CCO)C1
InChIInChI=1S/C16H25BrN2O/c1-2-15(18)16(13-5-3-4-6-14(13)17)19-9-7-12(11-19)8-10-20/h3-6,12,15-16,20H,2,7-11,18H2,1H3
InChIKeyKYFTUDSSLGIZFK-UHFFFAOYSA-N
XLogP2.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102956189
2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797123
2-[1-[2-amino-1-(furan-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227112
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624411

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol (CID 114797028) is 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol is CCC(N)C(c1ccccc1Br)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol?
The InChIKey is KYFTUDSSLGIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-2-15(18)16(13-5-3-4-6-14(13)17)19-9-7-12(11-19)8-10-20/h3-6,12,15-16,20H,2,7-11,18H2,1H3.
What are the key properties of 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol has a molecular weight of 341.29 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).