[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride

C14H21ClN2O — CID 119413093

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
SMILESCC(C)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10(2)11-3-5-12(6-4-11)14(17)16-8-7-13(15)9-16;/h3-6,10,13H,7-9,15H2,1-2H3;1H/t13-;/m1./s1
InChIKeyHJNSPGVFGOWKAC-BTQNPOSSSA-N
MW268.79 g/mol
LogP2.40
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride (PubChem CID 119413093) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
PubChem CID119413093
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
SMILESCC(C)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10(2)11-3-5-12(6-4-11)14(17)16-8-7-13(15)9-16;/h3-6,10,13H,7-9,15H2,1-2H3;1H/t13-;/m1./s1
InChIKeyHJNSPGVFGOWKAC-BTQNPOSSSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 119413263
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride (CID 119413093) is [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride is CC(C)c1ccc(C(=O)N2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
The InChIKey is HJNSPGVFGOWKAC-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10(2)11-3-5-12(6-4-11)14(17)16-8-7-13(15)9-16;/h3-6,10,13H,7-9,15H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119413093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).