N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C14H23BrN2O2 — CID 104652116

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(NCC(C)(C)N1CCOCC1)c1ccc(Br)o1
InChIInChI=1S/C14H23BrN2O2/c1-11(12-4-5-13(15)19-12)16-10-14(2,3)17-6-8-18-9-7-17/h4-5,11,16H,6-10H2,1-3H3
InChIKeyMSEWIKIMMNIZNP-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 104652116) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID104652116
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(NCC(C)(C)N1CCOCC1)c1ccc(Br)o1
InChIInChI=1S/C14H23BrN2O2/c1-11(12-4-5-13(15)19-12)16-10-14(2,3)17-6-8-18-9-7-17/h4-5,11,16H,6-10H2,1-3H3
InChIKeyMSEWIKIMMNIZNP-UHFFFAOYSA-N
XLogP2.80
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-morpholin-4-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091009
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 106756920
N-[1-(5-bromofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 104651972
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)hexan-2-amine
CID 43202156
2-methyl-2-morpholin-4-yl-N-(1-phenylpropyl)propan-1-amine
CID 43202117
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 43363203
(1S)-1-(5-bromofuran-2-yl)-N-[(4-methylsulfanyloxan-4-yl)methyl]ethanamine
CID 99837811
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylprop-2-en-1-amine
CID 114615383
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 43766789
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 104652116) is N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(NCC(C)(C)N1CCOCC1)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is MSEWIKIMMNIZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-11(12-4-5-13(15)19-12)16-10-14(2,3)17-6-8-18-9-7-17/h4-5,11,16H,6-10H2,1-3H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 331.25 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 104652116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).