N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine

C18H22ClFN2O2 — CID 120509260

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
SMILESCc1ccc(C(CNCc2c(F)cccc2Cl)N2CCOCC2)o1
InChIInChI=1S/C18H22ClFN2O2/c1-13-5-6-18(24-13)17(22-7-9-23-10-8-22)12-21-11-14-15(19)3-2-4-16(14)20/h2-6,17,21H,7-12H2,1H3
InChIKeySNZAUKRNCXODFE-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.54
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine (PubChem CID 120509260) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
PubChem CID120509260
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
SMILESCc1ccc(C(CNCc2c(F)cccc2Cl)N2CCOCC2)o1
InChIInChI=1S/C18H22ClFN2O2/c1-13-5-6-18(24-13)17(22-7-9-23-10-8-22)12-21-11-14-15(19)3-2-4-16(14)20/h2-6,17,21H,7-12H2,1H3
InChIKeySNZAUKRNCXODFE-UHFFFAOYSA-N
XLogP3.54
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethanamine
CID 119107159
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46457742
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273
2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 120509291
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509310
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[(4-chloro-3-nitrophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509324
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
CID 120665849
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine (CID 120509260) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine is Cc1ccc(C(CNCc2c(F)cccc2Cl)N2CCOCC2)o1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?
The InChIKey is SNZAUKRNCXODFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c1-13-5-6-18(24-13)17(22-7-9-23-10-8-22)12-21-11-14-15(19)3-2-4-16(14)20/h2-6,17,21H,7-12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine has a molecular weight of 352.84 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 120509260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).