4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine

C15H23FN2O — CID 66263079

IUPAC4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine
SMILESCC(c1ccccc1F)N(C)CC1(C)COCC1N
InChIInChI=1S/C15H23FN2O/c1-11(12-6-4-5-7-13(12)16)18(3)9-15(2)10-19-8-14(15)17/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyACPFCBFWXVQZGX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.18
Rot. Bonds4

About 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine

4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine (PubChem CID 66263079) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine
PubChem CID66263079
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine
SMILESCC(c1ccccc1F)N(C)CC1(C)COCC1N
InChIInChI=1S/C15H23FN2O/c1-11(12-6-4-5-7-13(12)16)18(3)9-15(2)10-19-8-14(15)17/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyACPFCBFWXVQZGX-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(N-ethyl-2-methylanilino)methyl]-4-methyloxolan-3-amine
CID 66263494
6-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79843106
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
CID 66259151
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyloxolan-3-amine
CID 63335288
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 65006736
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62977944
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine (CID 66263079) is 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine is CC(c1ccccc1F)N(C)CC1(C)COCC1N.
What is the InChIKey of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine?
The InChIKey is ACPFCBFWXVQZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(12-6-4-5-7-13(12)16)18(3)9-15(2)10-19-8-14(15)17/h4-7,11,14H,8-10,17H2,1-3H3.
What are the key properties of 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine?
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine has a molecular weight of 266.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66263079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).