1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine

C16H24BrNO — CID 82926596

IUPAC1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OC1CCCCCC1
InChIInChI=1S/C16H24BrNO/c1-12(18-2)15-11-13(17)9-10-16(15)19-14-7-5-3-4-6-8-14/h9-12,14,18H,3-8H2,1-2H3
InChIKeyBSWJBYCUDMIWBE-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.83
Rot. Bonds4

About 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine

1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine (PubChem CID 82926596) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
PubChem CID82926596
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OC1CCCCCC1
InChIInChI=1S/C16H24BrNO/c1-12(18-2)15-11-13(17)9-10-16(15)19-14-7-5-3-4-6-8-14/h9-12,14,18H,3-8H2,1-2H3
InChIKeyBSWJBYCUDMIWBE-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
CID 62368559
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
3-(5-bromo-2-cyclobutyloxyphenyl)butanal
CID 117478597
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958654
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
CID 115403052

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine (CID 82926596) is 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine is CNC(C)c1cc(Br)ccc1OC1CCCCCC1.
What is the InChIKey of 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine?
The InChIKey is BSWJBYCUDMIWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(18-2)15-11-13(17)9-10-16(15)19-14-7-5-3-4-6-8-14/h9-12,14,18H,3-8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine?
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82926596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).