2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone

C16H24N2O — CID 119288426

IUPAC2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(C)c1ccc(C2CCCN2C(=O)CN)cc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)14-5-4-10-18(14)15(19)11-17/h6-9,14H,4-5,10-11,17H2,1-3H3
InChIKeyNSVCBKZLFHLWOP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.61
Rot. Bonds2

About 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone

2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 119288426) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID119288426
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)(C)c1ccc(C2CCCN2C(=O)CN)cc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)14-5-4-10-18(14)15(19)11-17/h6-9,14H,4-5,10-11,17H2,1-3H3
InChIKeyNSVCBKZLFHLWOP-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288410
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 120771691
1-[2-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908908
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119721663
(5R)-5-[(2S)-2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94838688
(5R)-5-[2-(4-tert-butylphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 75467126
2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
2-[4-[2-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78899363
1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 78897668
(5-amino-1-methylpyrazol-4-yl)-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]methanone
CID 166202740
[2-(4-tert-butylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119288433

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone (CID 119288426) is 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone is CC(C)(C)c1ccc(C2CCCN2C(=O)CN)cc1.
What is the InChIKey of 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NSVCBKZLFHLWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)13-8-6-12(7-9-13)14-5-4-10-18(14)15(19)11-17/h6-9,14H,4-5,10-11,17H2,1-3H3.
What are the key properties of 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone?
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119288426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).