2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol

C14H20BrNO — CID 117018566

IUPAC2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
SMILESCC1(C)CC(CCO)CN1c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-14(2)9-11(6-7-17)10-16(14)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyKGKIARMISXICJJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol

2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol (PubChem CID 117018566) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
PubChem CID117018566
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
SMILESCC1(C)CC(CCO)CN1c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-14(2)9-11(6-7-17)10-16(14)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyKGKIARMISXICJJ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
1-(3-bromophenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018351
2-[4-(3-bromophenyl)-1,5,5-trimethylpiperazin-2-yl]ethanamine
CID 84607204
[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018900
[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018785
2-[5,5-dimethyl-1-(3-methylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117018606
[4-(3-bromophenyl)-1,6,6-trimethyl-1,4-diazepan-2-yl]methanol
CID 84608336
2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
CID 117018523
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376
1-[3-[4-(hydroxymethyl)-2,2-dimethylpiperidin-1-yl]phenyl]ethanone
CID 117020720

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol (CID 117018566) is 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol is CC1(C)CC(CCO)CN1c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol?
The InChIKey is KGKIARMISXICJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2)9-11(6-7-17)10-16(14)13-5-3-4-12(15)8-13/h3-5,8,11,17H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol?
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol has a molecular weight of 298.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117018566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).