(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine

C14H20BrNO3 — CID 100615019

IUPAC(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine
SMILESBrc1ccc(CN2CCO[C@H](COCC3CC3)C2)o1
InChIInChI=1S/C14H20BrNO3/c15-14-4-3-12(19-14)7-16-5-6-18-13(8-16)10-17-9-11-1-2-11/h3-4,11,13H,1-2,5-10H2/t13-/m0/s1
InChIKeyVOROKSGAVJLUHK-ZDUSSCGKSA-N
MW330.22 g/mol
LogP2.67
Rot. Bonds6

About (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine

(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine (PubChem CID 100615019) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine
PubChem CID100615019
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine
SMILESBrc1ccc(CN2CCO[C@H](COCC3CC3)C2)o1
InChIInChI=1S/C14H20BrNO3/c15-14-4-3-12(19-14)7-16-5-6-18-13(8-16)10-17-9-11-1-2-11/h3-4,11,13H,1-2,5-10H2/t13-/m0/s1
InChIKeyVOROKSGAVJLUHK-ZDUSSCGKSA-N
XLogP2.67
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine with MolForge

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Related Compounds

4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273
1-[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]ethanamine
CID 115314919
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
[5-[[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 129344343
4-[(5-bromofuran-2-yl)methyl]-6-methyl-1,4-oxazepane
CID 131213802
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
(2-bromofuran-3-yl)-[(2R)-2-(cyclopropylmethoxymethyl)morpholin-4-yl]methanone
CID 100674768

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine (CID 100615019) is (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine is Brc1ccc(CN2CCO[C@H](COCC3CC3)C2)o1.
What is the InChIKey of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine?
The InChIKey is VOROKSGAVJLUHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-14-4-3-12(19-14)7-16-5-6-18-13(8-16)10-17-9-11-1-2-11/h3-4,11,13H,1-2,5-10H2/t13-/m0/s1.
What are the key properties of (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine?
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine has a molecular weight of 330.22 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-bromofuran-2-yl)methyl]-2-(cyclopropylmethoxymethyl)morpholine is sourced from PubChem (CID 100615019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).