2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride

C18H29Cl2N3O2 — CID 120670473

IUPAC2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCC(CN3CCOCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-2-4-16(5-3-14)17(19)18(22)21-7-6-15(13-21)12-20-8-10-23-11-9-20;;/h2-5,15,17H,6-13,19H2,1H3;2*1H
InChIKeyDVHUUTUEZPZVAI-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride

2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride (PubChem CID 120670473) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
PubChem CID120670473
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCC(CN3CCOCC3)C2)cc1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-14-2-4-16(5-3-14)17(19)18(22)21-7-6-15(13-21)12-20-8-10-23-11-9-20;;/h2-5,15,17H,6-13,19H2,1H3;2*1H
InChIKeyDVHUUTUEZPZVAI-UHFFFAOYSA-N
XLogP2.02
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
2-amino-2-(4-methylphenyl)-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 120668987
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488276
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
2-amino-1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120670236
2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668632
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120801009
1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride (CID 120670473) is 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride is Cc1ccc(C(N)C(=O)N2CCC(CN3CCOCC3)C2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The InChIKey is DVHUUTUEZPZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-14-2-4-16(5-3-14)17(19)18(22)21-7-6-15(13-21)12-20-8-10-23-11-9-20;;/h2-5,15,17H,6-13,19H2,1H3;2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride?
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120670473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).