1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone

C14H22N2O2 — CID 62687564

IUPAC1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CCN
InChIInChI=1S/C14H22N2O2/c1-4-18-14-6-5-12(11(2)17)9-13(14)10-16(3)8-7-15/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyRBSIJRGQCMSPFY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds7

About 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone

1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone (PubChem CID 62687564) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
PubChem CID62687564
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CCN
InChIInChI=1S/C14H22N2O2/c1-4-18-14-6-5-12(11(2)17)9-13(14)10-16(3)8-7-15/h5-6,9H,4,7-8,10,15H2,1-3H3
InChIKeyRBSIJRGQCMSPFY-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
CID 43442595
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859
3-[(5-acetyl-2-ethoxyphenyl)methyl-ethylamino]propanoic acid
CID 61009502
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252847
1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 60627754
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[3-[[azetidin-3-yl(ethyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 66182584
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone (CID 62687564) is 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone is CCOc1ccc(C(C)=O)cc1CN(C)CCN.
What is the InChIKey of 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone?
The InChIKey is RBSIJRGQCMSPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-14-6-5-12(11(2)17)9-13(14)10-16(3)8-7-15/h5-6,9H,4,7-8,10,15H2,1-3H3.
What are the key properties of 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone?
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone is sourced from PubChem (CID 62687564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).