1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine

C15H22BrNO2 — CID 103556435

IUPAC1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCOc1ccc(C(N)CC2(OC)CCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-3-19-11-5-6-12(13(16)9-11)14(17)10-15(18-2)7-4-8-15/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyADAHZHHBKRIDQS-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.81
Rot. Bonds6

About 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine

1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556435) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556435
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCOc1ccc(C(N)CC2(OC)CCC2)c(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-3-19-11-5-6-12(13(16)9-11)14(17)10-15(18-2)7-4-8-15/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3
InChIKeyADAHZHHBKRIDQS-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-ethoxyphenyl)-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-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556115
1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 107515843
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
CID 103556513
2-[1-[2-amino-2-(2-bromo-4-methoxyphenyl)ethyl]cyclopentyl]acetic acid
CID 61070396
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557775
1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556111
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556131
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510
2-bromo-1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-ethoxybenzene
CID 107182502
2-(1-methoxycyclobutyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 103559774
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556435) is 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine is CCOc1ccc(C(N)CC2(OC)CCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is ADAHZHHBKRIDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-19-11-5-6-12(13(16)9-11)14(17)10-15(18-2)7-4-8-15/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine?
1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).