2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

C17H25BrFNO — CID 116770078

IUPAC2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1(OC)CCCCCC1
InChIInChI=1S/C17H25BrFNO/c1-20-16(11-13-9-14(18)12-15(19)10-13)17(21-2)7-5-3-4-6-8-17/h9-10,12,16,20H,3-8,11H2,1-2H3
InChIKeyXPXNFVHMXOEVQP-UHFFFAOYSA-N
MW358.30 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (PubChem CID 116770078) has the molecular formula C17H25BrFNO and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
PubChem CID116770078
Molecular FormulaC17H25BrFNO
Molecular Weight358.30 g/mol
Exact Mass357.11
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)C1(OC)CCCCCC1
InChIInChI=1S/C17H25BrFNO/c1-20-16(11-13-9-14(18)12-15(19)10-13)17(21-2)7-5-3-4-6-8-17/h9-10,12,16,20H,3-8,11H2,1-2H3
InChIKeyXPXNFVHMXOEVQP-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764652
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
[2-(3,5-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105413024
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanamine
CID 116763561
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
[2-(3-bromo-5-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105324822
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (CID 116770078) is 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)C1(OC)CCCCCC1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The InChIKey is XPXNFVHMXOEVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFNO/c1-20-16(11-13-9-14(18)12-15(19)10-13)17(21-2)7-5-3-4-6-8-17/h9-10,12,16,20H,3-8,11H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine has a molecular weight of 358.30 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is sourced from PubChem (CID 116770078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).