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

C14H21BrN2O — CID 112624625

IUPAC1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(CN)c2cccc(Br)c2)C1
InChIInChI=1S/C14H21BrN2O/c1-10(18)12-5-6-17(9-12)14(8-16)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,18H,5-6,8-9,16H2,1H3
InChIKeyNDPOFQZGWKXMSV-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.15
Rot. Bonds4

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

1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624625) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID112624625
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(CN)c2cccc(Br)c2)C1
InChIInChI=1S/C14H21BrN2O/c1-10(18)12-5-6-17(9-12)14(8-16)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,18H,5-6,8-9,16H2,1H3
InChIKeyNDPOFQZGWKXMSV-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(3-bromophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585829
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624618
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
tert-butyl N-[(3R)-1-[(1S)-2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 124929567
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(3-fluorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494730
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 112625605
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol (CID 112624625) is 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(C(CN)c2cccc(Br)c2)C1.
What is the InChIKey of 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is NDPOFQZGWKXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(18)12-5-6-17(9-12)14(8-16)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,18H,5-6,8-9,16H2,1H3.
What are the key properties of 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 313.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).