1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine

C13H19BrN2O2 — CID 106889429

IUPAC1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
SMILESCNCC1OCCN(C2CC2)C1c1occc1Br
InChIInChI=1S/C13H19BrN2O2/c1-15-8-11-12(13-10(14)4-6-18-13)16(5-7-17-11)9-2-3-9/h4,6,9,11-12,15H,2-3,5,7-8H2,1H3
InChIKeyYQIIOGROZAXSQF-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.17
Rot. Bonds4

About 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine

1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine (PubChem CID 106889429) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
PubChem CID106889429
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
SMILESCNCC1OCCN(C2CC2)C1c1occc1Br
InChIInChI=1S/C13H19BrN2O2/c1-15-8-11-12(13-10(14)4-6-18-13)16(5-7-17-11)9-2-3-9/h4,6,9,11-12,15H,2-3,5,7-8H2,1H3
InChIKeyYQIIOGROZAXSQF-UHFFFAOYSA-N
XLogP2.17
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-bromofuran-2-yl)-4-ethylmorpholin-2-yl]-N-methylmethanamine
CID 106889425
1-[4-cyclopropyl-3-(2-ethylpyrazol-3-yl)morpholin-2-yl]-N-methylmethanamine
CID 114557732
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
1-[2-(3-bromofuran-2-yl)-1-propan-2-ylpyrrolidin-3-yl]-N-methylmethanamine
CID 106889418
1-[4-cyclopropyl-3-(3-cyclopropylimidazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 66162950
1-[4-cyclopropyl-3-(1,5-dimethylpyrazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 79583955
2-(3-bromofuran-2-yl)-1-cyclopropylpiperidin-3-amine
CID 106889465
N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
2-(3-bromofuran-2-yl)-1-methylpyrrolidin-3-amine
CID 106889460
N-[[2-(3-bromofuran-2-yl)-1-methylazepan-3-yl]methyl]ethanamine
CID 106889430
N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 122164329
[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114866618

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine (CID 106889429) is 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine is CNCC1OCCN(C2CC2)C1c1occc1Br.
What is the InChIKey of 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
The InChIKey is YQIIOGROZAXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-15-8-11-12(13-10(14)4-6-18-13)16(5-7-17-11)9-2-3-9/h4,6,9,11-12,15H,2-3,5,7-8H2,1H3.
What are the key properties of 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine?
1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine has a molecular weight of 315.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromofuran-2-yl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106889429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).