1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one

C18H29NO2 — CID 143630624

IUPAC1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one
SMILESCCOCCN(C)Cc1ccccc1CC(=O)C(C)CC
InChIInChI=1S/C18H29NO2/c1-5-15(3)18(20)13-16-9-7-8-10-17(16)14-19(4)11-12-21-6-2/h7-10,15H,5-6,11-14H2,1-4H3
InChIKeyPDGCTHHXJHWOES-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.31
Rot. Bonds10

About 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one

1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one (PubChem CID 143630624) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one.

Molecular Properties

Compound Name1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one
PubChem CID143630624
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one
SMILESCCOCCN(C)Cc1ccccc1CC(=O)C(C)CC
InChIInChI=1S/C18H29NO2/c1-5-15(3)18(20)13-16-9-7-8-10-17(16)14-19(4)11-12-21-6-2/h7-10,15H,5-6,11-14H2,1-4H3
InChIKeyPDGCTHHXJHWOES-UHFFFAOYSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
3-[[2-ethoxyethyl(methyl)amino]methyl]pyridin-2-amine
CID 81074924
S-methyl 3-[[2-ethoxyethyl(methyl)amino]methyl]naphthalene-2-carbothioate
CID 143584341
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
2-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylethanamine
CID 75518372
1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
CID 82983291
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
ethyl 3-[[2-(2-methoxy-2-oxoethyl)phenyl]methyl-methylamino]propanoate
CID 115463319
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one?
The IUPAC name of 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one (CID 143630624) is 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one.
What is the SMILES notation for 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one?
The canonical SMILES for 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one is CCOCCN(C)Cc1ccccc1CC(=O)C(C)CC.
What is the InChIKey of 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one?
The InChIKey is PDGCTHHXJHWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-15(3)18(20)13-16-9-7-8-10-17(16)14-19(4)11-12-21-6-2/h7-10,15H,5-6,11-14H2,1-4H3.
What are the key properties of 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one?
1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one has a molecular weight of 291.44 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]-3-methylpentan-2-one is sourced from PubChem (CID 143630624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).