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

C16H24BrNO2 — CID 103556204

IUPAC1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-4-18-14(11-16(20-3)8-5-9-16)12-6-7-15(19-2)13(17)10-12/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyQCHGZCBBAGZQRY-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.07
Rot. Bonds7

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

1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556204) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556204
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-4-18-14(11-16(20-3)8-5-9-16)12-6-7-15(19-2)13(17)10-12/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3
InChIKeyQCHGZCBBAGZQRY-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
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
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
1-(2,5-dibromo-4-methylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556467
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
5-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103556239
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (CID 103556204) is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is QCHGZCBBAGZQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-18-14(11-16(20-3)8-5-9-16)12-6-7-15(19-2)13(17)10-12/h6-7,10,14,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 342.28 g/mol, XLogP of 4.07, 7 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)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).