1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol

C16H25BrN2O — CID 63211396

IUPAC1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1)CCN1CCCC1
InChIInChI=1S/C16H25BrN2O/c1-18(12-13-19-9-2-3-10-19)11-8-16(20)14-4-6-15(17)7-5-14/h4-7,16,20H,2-3,8-13H2,1H3
InChIKeyWEEUGMYGJURRKA-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.90
Rot. Bonds7

About 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol

1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol (PubChem CID 63211396) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
PubChem CID63211396
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccc(Br)cc1)CCN1CCCC1
InChIInChI=1S/C16H25BrN2O/c1-18(12-13-19-9-2-3-10-19)11-8-16(20)14-4-6-15(17)7-5-14/h4-7,16,20H,2-3,8-13H2,1H3
InChIKeyWEEUGMYGJURRKA-UHFFFAOYSA-N
XLogP2.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
4-[1-hydroxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzenecarbothioamide
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CID 63210893
3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 69166688
4-bromo-2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979704
1-[2-[[2-(4-bromophenyl)-2-hydroxyethyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111121937
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol (CID 63211396) is 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol is CN(CCC(O)c1ccc(Br)cc1)CCN1CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
The InChIKey is WEEUGMYGJURRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-18(12-13-19-9-2-3-10-19)11-8-16(20)14-4-6-15(17)7-5-14/h4-7,16,20H,2-3,8-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol?
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol has a molecular weight of 341.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 63211396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).