[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol

C15H24N2O — CID 117012233

IUPAC[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)c1ccccc1N1CCC(N)(CO)C1
InChIInChI=1S/C15H24N2O/c1-14(2,3)12-6-4-5-7-13(12)17-9-8-15(16,10-17)11-18/h4-7,18H,8-11,16H2,1-3H3
InChIKeyNQSMWWSHNIUZBR-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds2

About [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol

[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117012233) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117012233
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)c1ccccc1N1CCC(N)(CO)C1
InChIInChI=1S/C15H24N2O/c1-14(2,3)12-6-4-5-7-13(12)17-9-8-15(16,10-17)11-18/h4-7,18H,8-11,16H2,1-3H3
InChIKeyNQSMWWSHNIUZBR-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
CID 115025843
1-(2-tert-butylphenyl)-3-fluoro-3-methylpyrrolidine
CID 167663037
[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
CID 117012267
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107
1,3-bis(2-tert-butylphenyl)imidazolidine;hydrochloride
CID 173045672
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295
4-(2-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide
CID 59865822
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol (CID 117012233) is [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol is CC(C)(C)c1ccccc1N1CCC(N)(CO)C1.
What is the InChIKey of [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is NQSMWWSHNIUZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)12-6-4-5-7-13(12)17-9-8-15(16,10-17)11-18/h4-7,18H,8-11,16H2,1-3H3.
What are the key properties of [3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol?
[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.88, 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-tert-butylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).