(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride

C18H21ClN2O — CID 119721832

IUPAC(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1ccccc1C1CCCN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-13-6-2-3-9-16(13)17-10-5-11-20(17)18(21)14-7-4-8-15(19)12-14;/h2-4,6-9,12,17H,5,10-11,19H2,1H3;1H
InChIKeyPKHYLGGKOOIUPQ-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.98
Rot. Bonds2

About (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride

(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119721832) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119721832
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1ccccc1C1CCCN1C(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H20N2O.ClH/c1-13-6-2-3-9-16(13)17-10-5-11-20(17)18(21)14-7-4-8-15(19)12-14;/h2-4,6-9,12,17H,5,10-11,19H2,1H3;1H
InChIKeyPKHYLGGKOOIUPQ-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
(1-methylindol-6-yl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 97187488
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
(3-aminophenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721797
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(2,4-dihydroxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 25058141
(2,4-dihydroxyphenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 15942101

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119721832) is (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride is Cc1ccccc1C1CCCN1C(=O)c1cccc(N)c1.Cl.
What is the InChIKey of (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is PKHYLGGKOOIUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.ClH/c1-13-6-2-3-9-16(13)17-10-5-11-20(17)18(21)14-7-4-8-15(19)12-14;/h2-4,6-9,12,17H,5,10-11,19H2,1H3;1H.
What are the key properties of (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119721832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).