N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine

C15H22BrNO2 — CID 104657640

IUPACN-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)c(Br)c1)C1CCOC1
InChIInChI=1S/C15H22BrNO2/c1-3-17-15(12-7-8-18-10-12)11-5-6-14(19-4-2)13(16)9-11/h5-6,9,12,15,17H,3-4,7-8,10H2,1-2H3
InChIKeyCJYWAEYHOPXKMN-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.53
Rot. Bonds6

About N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 104657640) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID104657640
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)c(Br)c1)C1CCOC1
InChIInChI=1S/C15H22BrNO2/c1-3-17-15(12-7-8-18-10-12)11-5-6-14(19-4-2)13(16)9-11/h5-6,9,12,15,17H,3-4,7-8,10H2,1-2H3
InChIKeyCJYWAEYHOPXKMN-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine 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

N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
[(3,4-diethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229485
N-[(3-bromo-4-chlorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 113337193
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
CID 104658059
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine (CID 104657640) is N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(OCC)c(Br)c1)C1CCOC1.
What is the InChIKey of N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is CJYWAEYHOPXKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-17-15(12-7-8-18-10-12)11-5-6-14(19-4-2)13(16)9-11/h5-6,9,12,15,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 104657640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).