1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol

C14H21BrN2O — CID 62941502

IUPAC1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCC(O)C1
InChIInChI=1S/C14H21BrN2O/c1-2-13(16)14(17-8-7-12(18)9-17)10-3-5-11(15)6-4-10/h3-6,12-14,18H,2,7-9,16H2,1H3
InChIKeyOGZHDZZCWDPIGA-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol

1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol (PubChem CID 62941502) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
PubChem CID62941502
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCC(O)C1
InChIInChI=1S/C14H21BrN2O/c1-2-13(16)14(17-8-7-12(18)9-17)10-3-5-11(15)6-4-10/h3-6,12-14,18H,2,7-9,16H2,1H3
InChIKeyOGZHDZZCWDPIGA-UHFFFAOYSA-N
XLogP2.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
CID 55016025
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidine-3,4-diol
CID 106667890
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
CID 62941141
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
CID 55016632
1-[2-amino-1-(4-bromophenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451292
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-[2-amino-1-(3-bromophenyl)butyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166544
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624411
[4-[2-amino-1-(4-bromophenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932098
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol (CID 62941502) is 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol is CCC(N)C(c1ccc(Br)cc1)N1CCC(O)C1.
What is the InChIKey of 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol?
The InChIKey is OGZHDZZCWDPIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-13(16)14(17-8-7-12(18)9-17)10-3-5-11(15)6-4-10/h3-6,12-14,18H,2,7-9,16H2,1H3.
What are the key properties of 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol?
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol has a molecular weight of 313.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).