N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

C17H27FN2O — CID 79052240

IUPACN-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(Cc1cccc(F)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(13-14-6-5-7-15(18)12-14)17(2,3)20-8-10-21-11-9-20/h5-7,12,16,19H,4,8-11,13H2,1-3H3
InChIKeyMAHOCXCFZGVCMN-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 79052240) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID79052240
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(Cc1cccc(F)c1)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(13-14-6-5-7-15(18)12-14)17(2,3)20-8-10-21-11-9-20/h5-7,12,16,19H,4,8-11,13H2,1-3H3
InChIKeyMAHOCXCFZGVCMN-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 105239805
N-ethyl-1-(furan-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 83176070
1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
CID 79050878
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051927
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
2-N,3-N,3-N-triethyl-1-(3-fluorophenyl)-3-methylpentane-2,3-diamine
CID 79058314
N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine
CID 79762004
3-(azepan-1-yl)-1-(3-fluorophenyl)-3-methylbutan-2-amine
CID 79051816
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
(4-methyl-4-morpholin-4-yl-1-phenylpentan-3-yl)hydrazine
CID 105240046
1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79575615
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 79052240) is N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is CCNC(Cc1cccc(F)c1)C(C)(C)N1CCOCC1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is MAHOCXCFZGVCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-16(13-14-6-5-7-15(18)12-14)17(2,3)20-8-10-21-11-9-20/h5-7,12,16,19H,4,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 294.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79052240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).