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

C19H23ClN2O — CID 120622196

IUPAC(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(C2CCCN2C(=O)c2cc(N)ccc2C)c1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-13-5-3-6-15(11-13)18-7-4-10-21(18)19(22)17-12-16(20)9-8-14(17)2;/h3,5-6,8-9,11-12,18H,4,7,10,20H2,1-2H3;1H
InChIKeyYXSANUMXYZYVQY-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.28
Rot. Bonds2

About (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride

(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 120622196) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID120622196
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCc1cccc(C2CCCN2C(=O)c2cc(N)ccc2C)c1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-13-5-3-6-15(11-13)18-7-4-10-21(18)19(22)17-12-16(20)9-8-14(17)2;/h3,5-6,8-9,11-12,18H,4,7,10,20H2,1-2H3;1H
InChIKeyYXSANUMXYZYVQY-UHFFFAOYSA-N
XLogP4.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.28
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

(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2S)-2-amino-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 119288516
(2-amino-3-methylphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43575411
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
(5-amino-2-methylphenyl)-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120636748

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 120622196) is (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride is Cc1cccc(C2CCCN2C(=O)c2cc(N)ccc2C)c1.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is YXSANUMXYZYVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-13-5-3-6-15(11-13)18-7-4-10-21(18)19(22)17-12-16(20)9-8-14(17)2;/h3,5-6,8-9,11-12,18H,4,7,10,20H2,1-2H3;1H.
What are the key properties of (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120622196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).