[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol

C14H22N2O — CID 117012230

IUPAC[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cc(C)c(N2CCC(N)(CO)C2)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)13(12(3)7-10)16-5-4-14(15,8-16)9-17/h6-7,17H,4-5,8-9,15H2,1-3H3
InChIKeySTGFDAAHWSZPJR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.51
Rot. Bonds2

About [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol

[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117012230) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117012230
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cc(C)c(N2CCC(N)(CO)C2)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)13(12(3)7-10)16-5-4-14(15,8-16)9-17/h6-7,17H,4-5,8-9,15H2,1-3H3
InChIKeySTGFDAAHWSZPJR-UHFFFAOYSA-N
XLogP1.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
CID 117012529
3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117013202
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
CID 117007604
[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
CID 117007853
[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
CID 115025843
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
CID 117012267
3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
CID 117007689
[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol
CID 117012233
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol (CID 117012230) is [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol is Cc1cc(C)c(N2CCC(N)(CO)C2)c(C)c1.
What is the InChIKey of [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is STGFDAAHWSZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-11(2)13(12(3)7-10)16-5-4-14(15,8-16)9-17/h6-7,17H,4-5,8-9,15H2,1-3H3.
What are the key properties of [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol?
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).