(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol

C12H16BrNO — CID 83693932

IUPAC(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
SMILESCc1ccc(Br)cc1C(O)C1CCNC1
InChIInChI=1S/C12H16BrNO/c1-8-2-3-10(13)6-11(8)12(15)9-4-5-14-7-9/h2-3,6,9,12,14-15H,4-5,7H2,1H3
InChIKeyDNJSOFHSMNBIIL-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.40
Rot. Bonds2

About (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol

(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol (PubChem CID 83693932) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
PubChem CID83693932
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
SMILESCc1ccc(Br)cc1C(O)C1CCNC1
InChIInChI=1S/C12H16BrNO/c1-8-2-3-10(13)6-11(8)12(15)9-4-5-14-7-9/h2-3,6,9,12,14-15H,4-5,7H2,1H3
InChIKeyDNJSOFHSMNBIIL-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906891
3-(5-bromo-2-methylphenyl)pyrrolidine
CID 82388123
(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 43152058
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol
CID 105464076
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
(5-methylthiophen-3-yl)-[(3S)-pyrrolidin-3-yl]methanol
CID 164653665

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol?
The IUPAC name of (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol (CID 83693932) is (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol is Cc1ccc(Br)cc1C(O)C1CCNC1.
What is the InChIKey of (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol?
The InChIKey is DNJSOFHSMNBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-2-3-10(13)6-11(8)12(15)9-4-5-14-7-9/h2-3,6,9,12,14-15H,4-5,7H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol?
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol has a molecular weight of 270.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol is sourced from PubChem (CID 83693932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).