(5-bromofuran-3-yl)-(oxan-4-yl)methanamine

C10H14BrNO2 — CID 126999345

IUPAC(5-bromofuran-3-yl)-(oxan-4-yl)methanamine
SMILESNC(c1coc(Br)c1)C1CCOCC1
InChIInChI=1S/C10H14BrNO2/c11-9-5-8(6-14-9)10(12)7-1-3-13-4-2-7/h5-7,10H,1-4,12H2
InChIKeyFAEUHTZAYJUSOO-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.47
Rot. Bonds2

About (5-bromofuran-3-yl)-(oxan-4-yl)methanamine

(5-bromofuran-3-yl)-(oxan-4-yl)methanamine (PubChem CID 126999345) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is (5-bromofuran-3-yl)-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-3-yl)-(oxan-4-yl)methanamine
PubChem CID126999345
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name(5-bromofuran-3-yl)-(oxan-4-yl)methanamine
SMILESNC(c1coc(Br)c1)C1CCOCC1
InChIInChI=1S/C10H14BrNO2/c11-9-5-8(6-14-9)10(12)7-1-3-13-4-2-7/h5-7,10H,1-4,12H2
InChIKeyFAEUHTZAYJUSOO-UHFFFAOYSA-N
XLogP2.47
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromofuran-3-yl)-(oxan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
CID 131552717
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
(R)-(3,5-dichlorophenyl)-(oxan-4-yl)methanamine
CID 131424758
5-[(R)-amino(oxan-4-yl)methyl]benzene-1,3-diol;hydrochloride
CID 171246230
[(5-bromofuran-3-yl)-cyclopropylmethyl]hydrazine
CID 131008582
(S)-(6-bromo-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240760
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-3-yl)-(oxan-4-yl)methanamine?
The IUPAC name of (5-bromofuran-3-yl)-(oxan-4-yl)methanamine (CID 126999345) is (5-bromofuran-3-yl)-(oxan-4-yl)methanamine.
What is the SMILES notation for (5-bromofuran-3-yl)-(oxan-4-yl)methanamine?
The canonical SMILES for (5-bromofuran-3-yl)-(oxan-4-yl)methanamine is NC(c1coc(Br)c1)C1CCOCC1.
What is the InChIKey of (5-bromofuran-3-yl)-(oxan-4-yl)methanamine?
The InChIKey is FAEUHTZAYJUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-9-5-8(6-14-9)10(12)7-1-3-13-4-2-7/h5-7,10H,1-4,12H2.
What are the key properties of (5-bromofuran-3-yl)-(oxan-4-yl)methanamine?
(5-bromofuran-3-yl)-(oxan-4-yl)methanamine has a molecular weight of 260.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-3-yl)-(oxan-4-yl)methanamine is sourced from PubChem (CID 126999345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).