1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

C16H24BrNO — CID 103162875

IUPAC1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-3-18-16(13-5-7-14(17)8-6-13)11-12-9-15(10-12)19-4-2/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyFKVVUSRGRYKRNM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.30
Rot. Bonds7

About 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (PubChem CID 103162875) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
PubChem CID103162875
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-3-18-16(13-5-7-14(17)8-6-13)11-12-9-15(10-12)19-4-2/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3
InChIKeyFKVVUSRGRYKRNM-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 103162908
1-(3-bromo-4-fluorophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163219
1-(3-bromo-4-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162864
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
1-bromo-4-[2-bromo-3-(3-ethoxycyclobutyl)propyl]benzene
CID 103166521
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (CID 103162875) is 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is CCNC(CC1CC(OCC)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The InChIKey is FKVVUSRGRYKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-16(13-5-7-14(17)8-6-13)11-12-9-15(10-12)19-4-2/h5-8,12,15-16,18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103162875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).