2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one

C24H33N3O2 — CID 174935005

IUPAC2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCNC(CC)(Cc1ccc(CN)cc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-24(26-4-2,17-19-5-7-20(18-25)8-6-19)23(28)21-9-11-22(12-10-21)27-13-15-29-16-14-27/h5-12,26H,3-4,13-18,25H2,1-2H3
InChIKeyZEVBCXOWXPROJK-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.17
Rot. Bonds9

About 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one

2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one (PubChem CID 174935005) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
PubChem CID174935005
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCNC(CC)(Cc1ccc(CN)cc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-24(26-4-2,17-19-5-7-20(18-25)8-6-19)23(28)21-9-11-22(12-10-21)27-13-15-29-16-14-27/h5-12,26H,3-4,13-18,25H2,1-2H3
InChIKeyZEVBCXOWXPROJK-UHFFFAOYSA-N
XLogP3.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 164713973
2-amino-4,4-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57126058
2-[1-(methylamino)propyl]-2-[[4-(2-methylpropyl)phenyl]methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 139844588
2-[butyl(methyl)amino]-2-[(4-butylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 154135338
4-(4-ethylphenyl)morpholine
CID 20576442
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
2-methyl-1-(4-methylsulfanylphenyl)-2-(4-morpholin-4-ylphenyl)butan-1-one
CID 161153433
2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
CID 174831575
3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
CID 66716078
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-4-[3-[4-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-2-hydroxy-3,4-dioxobutoxy]-2,2-bis[[4-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-2-hydroxy-3,4-dioxobutoxy]methyl]propoxy]-3-hydroxybutane-1,2-dione
CID 129174730

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one (CID 174935005) is 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one is CCNC(CC)(Cc1ccc(CN)cc1)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one?
The InChIKey is ZEVBCXOWXPROJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-24(26-4-2,17-19-5-7-20(18-25)8-6-19)23(28)21-9-11-22(12-10-21)27-13-15-29-16-14-27/h5-12,26H,3-4,13-18,25H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one?
2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one has a molecular weight of 395.55 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methyl]-2-(ethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one is sourced from PubChem (CID 174935005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).