N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine

C15H22F2N2O — CID 43675786

IUPACN-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-11(10-19-5-7-20-8-6-19)18-12(2)13-3-4-14(16)15(17)9-13/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeySXDREZVRWOVFFE-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.34
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine

N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 43675786) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID43675786
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2N2O/c1-11(10-19-5-7-20-8-6-19)18-12(2)13-3-4-14(16)15(17)9-13/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeySXDREZVRWOVFFE-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 103777480
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97050710
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779498
1-(3,4-difluorophenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]piperidin-4-amine
CID 125441397
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine (CID 43675786) is N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine is CC(CN1CCOCC1)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is SXDREZVRWOVFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11(10-19-5-7-20-8-6-19)18-12(2)13-3-4-14(16)15(17)9-13/h3-4,9,11-12,18H,5-8,10H2,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine?
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 284.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 43675786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).