1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

C17H26BrNO2 — CID 103162864

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-4-19-16(10-12-8-14(9-12)21-5-2)13-6-7-17(20-3)15(18)11-13/h6-7,11-12,14,16,19H,4-5,8-10H2,1-3H3
InChIKeySIOZQFXRQLMKCT-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.31
Rot. Bonds8

About 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (PubChem CID 103162864) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
PubChem CID103162864
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-4-19-16(10-12-8-14(9-12)21-5-2)13-6-7-17(20-3)15(18)11-13/h6-7,11-12,14,16,19H,4-5,8-10H2,1-3H3
InChIKeySIOZQFXRQLMKCT-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162875
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 105005702
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162788
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (CID 103162864) is 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is CCNC(CC1CC(OCC)C1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The InChIKey is SIOZQFXRQLMKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-4-19-16(10-12-8-14(9-12)21-5-2)13-6-7-17(20-3)15(18)11-13/h6-7,11-12,14,16,19H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine has a molecular weight of 356.30 g/mol, XLogP of 4.31, 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-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103162864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).