N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine

C14H20ClFN2O — CID 114454764

IUPACN-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H20ClFN2O/c1-3-17-9-13-14(18(2)4-5-19-13)10-6-11(15)8-12(16)7-10/h6-8,13-14,17H,3-5,9H2,1-2H3
InChIKeyJRDFLPVTDKZVRI-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.46
Rot. Bonds4

About N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine

N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine (PubChem CID 114454764) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
PubChem CID114454764
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC NameN-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H20ClFN2O/c1-3-17-9-13-14(18(2)4-5-19-13)10-6-11(15)8-12(16)7-10/h6-8,13-14,17H,3-5,9H2,1-2H3
InChIKeyJRDFLPVTDKZVRI-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine 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

N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 65021885
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 66158580
[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114454774
N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 81160749
N-[[3-(3-bromothiophen-2-yl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 115381375
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454759
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167
N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 122164329
N-[[3-(6-methoxy-3-pyridinyl)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 114938569
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine (CID 114454764) is N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine is CCNCC1OCCN(C)C1c1cc(F)cc(Cl)c1.
What is the InChIKey of N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The InChIKey is JRDFLPVTDKZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-3-17-9-13-14(18(2)4-5-19-13)10-6-11(15)8-12(16)7-10/h6-8,13-14,17H,3-5,9H2,1-2H3.
What are the key properties of N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine has a molecular weight of 286.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 114454764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).