(2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine

C21H27BrN2O3 — CID 124855740

IUPAC(2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine
SMILESBrc1ccc([C@H](NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C21H27BrN2O3/c22-18-5-3-16(4-6-18)21(20-2-1-10-27-20)23-14-19(17-7-11-26-15-17)24-8-12-25-13-9-24/h1-6,10,17,19,21,23H,7-9,11-15H2/t17-,19+,21-/m0/s1
InChIKeyAUXAODPUCOYIMH-DSKINZAPSA-N
MW435.36 g/mol
LogP3.46
Rot. Bonds7

About (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine

(2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine (PubChem CID 124855740) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine
PubChem CID124855740
Molecular FormulaC21H27BrN2O3
Molecular Weight435.36 g/mol
Exact Mass434.12
IUPAC Name(2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine
SMILESBrc1ccc([C@H](NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1
InChIInChI=1S/C21H27BrN2O3/c22-18-5-3-16(4-6-18)21(20-2-1-10-27-20)23-14-19(17-7-11-26-15-17)24-8-12-25-13-9-24/h1-6,10,17,19,21,23H,7-9,11-15H2/t17-,19+,21-/m0/s1
InChIKeyAUXAODPUCOYIMH-DSKINZAPSA-N
XLogP3.46
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine with MolForge

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Related Compounds

2-morpholin-4-yl-2-(oxolan-3-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 75449073
(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 124738760
N-(dicyclopropylmethyl)-2-morpholin-4-yl-2-(oxolan-3-yl)ethanamine
CID 75382652
1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
CID 94054450
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
CID 97085962
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 111399761
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine?
The IUPAC name of (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine (CID 124855740) is (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine?
The canonical SMILES for (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine is Brc1ccc([C@H](NC[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccco2)cc1.
What is the InChIKey of (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine?
The InChIKey is AUXAODPUCOYIMH-DSKINZAPSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c22-18-5-3-16(4-6-18)21(20-2-1-10-27-20)23-14-19(17-7-11-26-15-17)24-8-12-25-13-9-24/h1-6,10,17,19,21,23H,7-9,11-15H2/t17-,19+,21-/m0/s1.
What are the key properties of (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine?
(2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine has a molecular weight of 435.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-(4-bromophenyl)-(furan-2-yl)methyl]-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 124855740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).