[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine

C14H21FN2O — CID 107113113

IUPAC[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
SMILESCCC1CN(Cc2cccc(CN)c2F)CCO1
InChIInChI=1S/C14H21FN2O/c1-2-13-10-17(6-7-18-13)9-12-5-3-4-11(8-16)14(12)15/h3-5,13H,2,6-10,16H2,1H3
InChIKeyBJMKOPYPXSUFAQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.90
Rot. Bonds4

About [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine

[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107113113) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107113113
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
SMILESCCC1CN(Cc2cccc(CN)c2F)CCO1
InChIInChI=1S/C14H21FN2O/c1-2-13-10-17(6-7-18-13)9-12-5-3-4-11(8-16)14(12)15/h3-5,13H,2,6-10,16H2,1H3
InChIKeyBJMKOPYPXSUFAQ-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine 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

[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113021
2-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzenecarbothioamide
CID 107115660
3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43562689
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62560597

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine (CID 107113113) is [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine is CCC1CN(Cc2cccc(CN)c2F)CCO1.
What is the InChIKey of [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is BJMKOPYPXSUFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-13-10-17(6-7-18-13)9-12-5-3-4-11(8-16)14(12)15/h3-5,13H,2,6-10,16H2,1H3.
What are the key properties of [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine?
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107113113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).