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

C15H23BrN2O — CID 112624337

IUPAC[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(N)C(c1ccccc1Br)N1CCC(CO)C1
InChIInChI=1S/C15H23BrN2O/c1-2-14(17)15(12-5-3-4-6-13(12)16)18-8-7-11(9-18)10-19/h3-6,11,14-15,19H,2,7-10,17H2,1H3
InChIKeyLNVUJZNQKIHQKI-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.54
Rot. Bonds5

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

[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol (PubChem CID 112624337) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
PubChem CID112624337
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
SMILESCCC(N)C(c1ccccc1Br)N1CCC(CO)C1
InChIInChI=1S/C15H23BrN2O/c1-2-14(17)15(12-5-3-4-6-13(12)16)18-8-7-11(9-18)10-19/h3-6,11,14-15,19H,2,7-10,17H2,1H3
InChIKeyLNVUJZNQKIHQKI-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
1-(2-bromophenyl)-1-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102956189
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624411
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
CID 55022489
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
[1-[1-(4-bromophenyl)propyl]pyrrolidin-3-yl]methanol
CID 75386168
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol (CID 112624337) is [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol is CCC(N)C(c1ccccc1Br)N1CCC(CO)C1.
What is the InChIKey of [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol?
The InChIKey is LNVUJZNQKIHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-14(17)15(12-5-3-4-6-13(12)16)18-8-7-11(9-18)10-19/h3-6,11,14-15,19H,2,7-10,17H2,1H3.
What are the key properties of [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol?
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol has a molecular weight of 327.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).