2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine

C16H24BrNO — CID 116762033

IUPAC2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccccc2Br)NC)CCCC1
InChIInChI=1S/C16H24BrNO/c1-3-19-16(10-6-7-11-16)15(18-2)12-13-8-4-5-9-14(13)17/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3
InChIKeyFOQGHMLWVKEOIG-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.93
Rot. Bonds6

About 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine

2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine (PubChem CID 116762033) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
PubChem CID116762033
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccccc2Br)NC)CCCC1
InChIInChI=1S/C16H24BrNO/c1-3-19-16(10-6-7-11-16)15(18-2)12-13-8-4-5-9-14(13)17/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3
InChIKeyFOQGHMLWVKEOIG-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 116763842
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
2-(2-bromophenyl)-N-ethyl-1-(1-methoxycyclobutyl)ethanamine
CID 116714652
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
[1-(1-ethoxycyclopentyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105275708

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine (CID 116762033) is 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine is CCOC1(C(Cc2ccccc2Br)NC)CCCC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
The InChIKey is FOQGHMLWVKEOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-19-16(10-6-7-11-16)15(18-2)12-13-8-4-5-9-14(13)17/h4-5,8-9,15,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine has a molecular weight of 326.28 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine is sourced from PubChem (CID 116762033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).