1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

C14H20ClFN2O — CID 83069145

IUPAC1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCO1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2O/c1-10(11-3-4-13(15)14(16)7-11)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3
InChIKeyJZHBFVRDGJQZRE-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 83069145) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID83069145
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCO1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H20ClFN2O/c1-10(11-3-4-13(15)14(16)7-11)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3
InChIKeyJZHBFVRDGJQZRE-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

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Related Compounds

1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
1-(2,4-dichloro-5-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79083307
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
N-[(4-methylmorpholin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 79079935
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
CID 82993503
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 95327938

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (CID 83069145) is 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is CC(NCC1CN(C)CCO1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is JZHBFVRDGJQZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-10(11-3-4-13(15)14(16)7-11)17-8-12-9-18(2)5-6-19-12/h3-4,7,10,12,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
1-(4-chloro-3-fluorophenyl)-N-[(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 1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 83069145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).