1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

C17H26BrNO2 — CID 103556510

IUPAC1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1ccc(OCC)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-4-19-15(12-17(20-3)9-6-10-17)13-7-8-16(21-5-2)14(18)11-13/h7-8,11,15,19H,4-6,9-10,12H2,1-3H3
InChIKeyKOSPRRFXZAJSJO-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.46
Rot. Bonds8

About 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556510) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556510
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1ccc(OCC)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-4-19-15(12-17(20-3)9-6-10-17)13-7-8-16(21-5-2)14(18)11-13/h7-8,11,15,19H,4-6,9-10,12H2,1-3H3
InChIKeyKOSPRRFXZAJSJO-UHFFFAOYSA-N
XLogP4.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)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

1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467
N-[(3-bromo-4-ethoxyphenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104657609
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
CID 103556513
5-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103556239
N-ethyl-1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559311

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (CID 103556510) is 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1ccc(OCC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is KOSPRRFXZAJSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-4-19-15(12-17(20-3)9-6-10-17)13-7-8-16(21-5-2)14(18)11-13/h7-8,11,15,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).