[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol

C14H20BrNO — CID 117018900

IUPAC[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCc1cc(Br)ccc1N1CC(CO)CC1(C)C
InChIInChI=1S/C14H20BrNO/c1-10-6-12(15)4-5-13(10)16-8-11(9-17)7-14(16,2)3/h4-6,11,17H,7-9H2,1-3H3
InChIKeyKKUKGQJJSWMPCA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.35
Rot. Bonds2

About [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol

[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol (PubChem CID 117018900) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
PubChem CID117018900
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCc1cc(Br)ccc1N1CC(CO)CC1(C)C
InChIInChI=1S/C14H20BrNO/c1-10-6-12(15)4-5-13(10)16-8-11(9-17)7-14(16,2)3/h4-6,11,17H,7-9H2,1-3H3
InChIKeyKKUKGQJJSWMPCA-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]methanol
CID 84608205
[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018867
2-[4-(4-bromo-2-methylphenyl)-1,5,5-trimethylpiperazin-2-yl]acetonitrile
CID 84610854
2-[1-(3-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018566
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020305
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanol
CID 117025606
[1-(3-bromophenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020724
1-[1-(2-bromo-4-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117018975
1-(4-bromo-2-methylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019252
[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018785
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020696
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol (CID 117018900) is [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol is Cc1cc(Br)ccc1N1CC(CO)CC1(C)C.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is KKUKGQJJSWMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-6-12(15)4-5-13(10)16-8-11(9-17)7-14(16,2)3/h4-6,11,17H,7-9H2,1-3H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
[1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 298.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 117018900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).