(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

C14H21ClN2O — CID 119314086

IUPAC(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCc1ccccc1C1CCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-3-4-6-13(10)12-7-8-16(9-12)14(17)11(2)15;/h3-6,11-12H,7-9,15H2,1-2H3;1H/t11-,12?;/m1./s1
InChIKeyVZTQCXHOCZDYBJ-BAVFUAOSSA-N
MW268.79 g/mol
LogP2.08
Rot. Bonds2

About (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119314086) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
PubChem CID119314086
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
SMILESCc1ccccc1C1CCN(C(=O)[C@@H](C)N)C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-3-4-6-13(10)12-7-8-16(9-12)14(17)11(2)15;/h3-6,11-12H,7-9,15H2,1-2H3;1H/t11-,12?;/m1./s1
InChIKeyVZTQCXHOCZDYBJ-BAVFUAOSSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
2-[3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975828
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
CID 153400679
trans-(1R,2R)-2-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129467421
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
1-azabicyclo[3.3.1]nonan-5-yl-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 138030571
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride (CID 119314086) is (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is Cc1ccccc1C1CCN(C(=O)[C@@H](C)N)C1.Cl.
What is the InChIKey of (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is VZTQCXHOCZDYBJ-BAVFUAOSSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-5-3-4-6-13(10)12-7-8-16(9-12)14(17)11(2)15;/h3-6,11-12H,7-9,15H2,1-2H3;1H/t11-,12?;/m1./s1.
What are the key properties of (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119314086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).