(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

C17H27Cl2N3O2 — CID 120644954

IUPAC(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCCC1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-4-5-14(18)11-16(13)17(21)20-6-2-3-15(20)12-19-7-9-22-10-8-19;;/h4-5,11,15H,2-3,6-10,12,18H2,1H3;2*1H
InChIKeyJDWOLGSBHNFWFY-UHFFFAOYSA-N
MW376.33 g/mol
LogP2.36
Rot. Bonds3

About (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 120644954) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID120644954
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC Name(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N1CCCC1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-4-5-14(18)11-16(13)17(21)20-6-2-3-15(20)12-19-7-9-22-10-8-19;;/h4-5,11,15H,2-3,6-10,12,18H2,1H3;2*1H
InChIKeyJDWOLGSBHNFWFY-UHFFFAOYSA-N
XLogP2.36
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
(5-amino-2-methylphenyl)-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120647602
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311
(4-amino-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886056
(5-amino-2-methylphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120622196
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
(3-aminophenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119865869
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 120644954) is (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is Cc1ccc(N)cc1C(=O)N1CCCC1CN1CCOCC1.Cl.Cl.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is JDWOLGSBHNFWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c1-13-4-5-14(18)11-16(13)17(21)20-6-2-3-15(20)12-19-7-9-22-10-8-19;;/h4-5,11,15H,2-3,6-10,12,18H2,1H3;2*1H.
What are the key properties of (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120644954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).