2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

C17H26BrNO — CID 116770088

IUPAC2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)C1(OC)CCCCCC1
InChIInChI=1S/C17H26BrNO/c1-19-16(13-14-8-7-9-15(18)12-14)17(20-2)10-5-3-4-6-11-17/h7-9,12,16,19H,3-6,10-11,13H2,1-2H3
InChIKeyWPWGBIVUBXSVPH-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.32
Rot. Bonds5

About 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (PubChem CID 116770088) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
PubChem CID116770088
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)C1(OC)CCCCCC1
InChIInChI=1S/C17H26BrNO/c1-19-16(13-14-8-7-9-15(18)12-14)17(20-2)10-5-3-4-6-11-17/h7-9,12,16,19H,3-6,10-11,13H2,1-2H3
InChIKeyWPWGBIVUBXSVPH-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(3-bromophenyl)-N-ethyl-1-(1-methoxycyclopentyl)ethanamine
CID 104611298
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
N-[2-(3-bromophenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714808
2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770078
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623
2-(3-bromophenyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060381
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
[2-(3-bromophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277532

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (CID 116770088) is 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)C1(OC)CCCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The InChIKey is WPWGBIVUBXSVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-19-16(13-14-8-7-9-15(18)12-14)17(20-2)10-5-3-4-6-11-17/h7-9,12,16,19H,3-6,10-11,13H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is sourced from PubChem (CID 116770088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).