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

C16H25BrN2O — CID 111490042

IUPAC1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
SMILESCCN(CC)C1CCN(CC(O)c2cccc(Br)c2)C1
InChIInChI=1S/C16H25BrN2O/c1-3-19(4-2)15-8-9-18(11-15)12-16(20)13-6-5-7-14(17)10-13/h5-7,10,15-16,20H,3-4,8-9,11-12H2,1-2H3
InChIKeyYAGVLALFOHCEBI-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.90
Rot. Bonds6

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

1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol (PubChem CID 111490042) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
PubChem CID111490042
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
SMILESCCN(CC)C1CCN(CC(O)c2cccc(Br)c2)C1
InChIInChI=1S/C16H25BrN2O/c1-3-19(4-2)15-8-9-18(11-15)12-16(20)13-6-5-7-14(17)10-13/h5-7,10,15-16,20H,3-4,8-9,11-12H2,1-2H3
InChIKeyYAGVLALFOHCEBI-UHFFFAOYSA-N
XLogP2.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
4-[2-[3-(diethylamino)pyrrolidin-1-yl]-1-hydroxyethyl]benzonitrile
CID 63169961
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 95344285
1-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]propan-2-ol
CID 112561640
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
1-(3-bromophenyl)butan-1-ol
CID 18417756
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol (CID 111490042) is 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol is CCN(CC)C1CCN(CC(O)c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol?
The InChIKey is YAGVLALFOHCEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-19(4-2)15-8-9-18(11-15)12-16(20)13-6-5-7-14(17)10-13/h5-7,10,15-16,20H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol?
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol has a molecular weight of 341.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111490042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).