N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine

C15H23FN2O — CID 106532973

IUPACN-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCCNCc1cc(F)cc(N(C)C2CCOC2C)c1
InChIInChI=1S/C15H23FN2O/c1-4-17-10-12-7-13(16)9-14(8-12)18(3)15-5-6-19-11(15)2/h7-9,11,15,17H,4-6,10H2,1-3H3
InChIKeyCPRJGJXEFQZCPJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.55
Rot. Bonds5

About N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine

N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 106532973) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID106532973
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCCNCc1cc(F)cc(N(C)C2CCOC2C)c1
InChIInChI=1S/C15H23FN2O/c1-4-17-10-12-7-13(16)9-14(8-12)18(3)15-5-6-19-11(15)2/h7-9,11,15,17H,4-6,10H2,1-3H3
InChIKeyCPRJGJXEFQZCPJ-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
CID 82741920
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethyloxolan-3-amine
CID 82734709
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
5-(ethylaminomethyl)-N,2-dimethyl-N-(2-methyloxolan-3-yl)pyridin-4-amine
CID 82754776
N-(cyclobutylmethyl)-N-ethyl-3-(ethylaminomethyl)-5-fluoroaniline
CID 107402449
3-(ethylaminomethyl)-5-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 106532725
N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
CID 82742719
2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
CID 114104967
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
N-[[3-fluoro-5-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 106534270
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine (CID 106532973) is N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine is CCNCc1cc(F)cc(N(C)C2CCOC2C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is CPRJGJXEFQZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-17-10-12-7-13(16)9-14(8-12)18(3)15-5-6-19-11(15)2/h7-9,11,15,17H,4-6,10H2,1-3H3.
What are the key properties of N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine?
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 266.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 106532973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).