1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol

C14H20BrNO — CID 62625055

IUPAC1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CCCN1CCC(O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11-5-4-9-16(11)10-8-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3
InChIKeyZBPXLPKSNRJNSN-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol

1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol (PubChem CID 62625055) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
PubChem CID62625055
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
SMILESCC1CCCN1CCC(O)c1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-11-5-4-9-16(11)10-8-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3
InChIKeyZBPXLPKSNRJNSN-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2-cyclopentylpyrrolidin-1-yl)propan-1-ol
CID 62623121
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-ol
CID 62624211
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
CID 79184405
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 97326124
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol (CID 62625055) is 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol is CC1CCCN1CCC(O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
The InChIKey is ZBPXLPKSNRJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-5-4-9-16(11)10-8-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol?
1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 62625055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).