(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine

C14H20BrNO3 — CID 105056520

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCOc1cc(C(N)C2CCC(C)O2)c(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-8-4-5-11(19-8)14(16)9-6-13(18-3)10(15)7-12(9)17-2/h6-8,11,14H,4-5,16H2,1-3H3
InChIKeyIKCBALNCJACJAA-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.03
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 105056520) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
PubChem CID105056520
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
SMILESCOc1cc(C(N)C2CCC(C)O2)c(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-8-4-5-11(19-8)14(16)9-6-13(18-3)10(15)7-12(9)17-2/h6-8,11,14H,4-5,16H2,1-3H3
InChIKeyIKCBALNCJACJAA-UHFFFAOYSA-N
XLogP3.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-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

(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(3-bromo-4-methoxyphenyl)-(5-methyloxolan-2-yl)methanol
CID 81330381
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
CID 10042912
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312687
(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine (CID 105056520) is (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine is COc1cc(C(N)C2CCC(C)O2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is IKCBALNCJACJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-8-4-5-11(19-8)14(16)9-6-13(18-3)10(15)7-12(9)17-2/h6-8,11,14H,4-5,16H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 330.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 105056520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).