1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine

C18H28BrNO — CID 114457634

IUPAC1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)c1ccc(OC)cc1Br
InChIInChI=1S/C18H28BrNO/c1-3-20-18(12-14-8-6-4-5-7-9-14)16-11-10-15(21-2)13-17(16)19/h10-11,13-14,18,20H,3-9,12H2,1-2H3
InChIKeySJYHRHCVEULEHW-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.47
Rot. Bonds6

About 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine

1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine (PubChem CID 114457634) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
PubChem CID114457634
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
SMILESCCNC(CC1CCCCCC1)c1ccc(OC)cc1Br
InChIInChI=1S/C18H28BrNO/c1-3-20-18(12-14-8-6-4-5-7-9-14)16-11-10-15(21-2)13-17(16)19/h10-11,13-14,18,20H,3-9,12H2,1-2H3
InChIKeySJYHRHCVEULEHW-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493192
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine (CID 114457634) is 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine is CCNC(CC1CCCCCC1)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine?
The InChIKey is SJYHRHCVEULEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-20-18(12-14-8-6-4-5-7-9-14)16-11-10-15(21-2)13-17(16)19/h10-11,13-14,18,20H,3-9,12H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine?
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine has a molecular weight of 354.33 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine is sourced from PubChem (CID 114457634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).