1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

C16H23BrClNO2 — CID 103556207

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C16H23BrClNO2/c1-4-19-14(10-16(21-3)6-5-7-16)12-8-11(18)9-13(17)15(12)20-2/h8-9,14,19H,4-7,10H2,1-3H3
InChIKeyKTATZFQUSOLBJO-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.72
Rot. Bonds7

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556207) has the molecular formula C16H23BrClNO2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556207
Molecular FormulaC16H23BrClNO2
Molecular Weight376.72 g/mol
Exact Mass375.06
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C16H23BrClNO2/c1-4-19-14(10-16(21-3)6-5-7-16)12-8-11(18)9-13(17)15(12)20-2/h8-9,14,19H,4-7,10H2,1-3H3
InChIKeyKTATZFQUSOLBJO-UHFFFAOYSA-N
XLogP4.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (CID 103556207) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is KTATZFQUSOLBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO2/c1-4-19-14(10-16(21-3)6-5-7-16)12-8-11(18)9-13(17)15(12)20-2/h8-9,14,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 376.72 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).