3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine

C17H27FN2O — CID 114830256

IUPAC3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)Cc2cccc(F)c2)C1(C)C
InChIInChI=1S/C17H27FN2O/c1-5-21-15-10-17(19,16(15,2)3)12-20(4)11-13-7-6-8-14(18)9-13/h6-9,15H,5,10-12,19H2,1-4H3
InChIKeyRLYPVRLXLAKJRX-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.79
Rot. Bonds6

About 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 114830256) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID114830256
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(N)(CN(C)Cc2cccc(F)c2)C1(C)C
InChIInChI=1S/C17H27FN2O/c1-5-21-15-10-17(19,16(15,2)3)12-20(4)11-13-7-6-8-14(18)9-13/h6-9,15H,5,10-12,19H2,1-4H3
InChIKeyRLYPVRLXLAKJRX-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-ethoxy-N-(3-fluorophenyl)-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114829091
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82768565
cis-methyl (1S,3R)-3-ethoxy-1-[[2-(3-fluorophenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylate
CID 99788836
N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 63133198
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64501769
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]oxolan-3-yl]methanol
CID 62271267
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 55050971
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
3-ethoxy-1-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2-dimethylcyclobutan-1-amine
CID 114830393

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine (CID 114830256) is 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(N)(CN(C)Cc2cccc(F)c2)C1(C)C.
What is the InChIKey of 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is RLYPVRLXLAKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-5-21-15-10-17(19,16(15,2)3)12-20(4)11-13-7-6-8-14(18)9-13/h6-9,15H,5,10-12,19H2,1-4H3.
What are the key properties of 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[[(3-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).