(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine

C15H22BrNO — CID 82926734

IUPAC(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OC1CCCCCC1
InChIInChI=1S/C15H22BrNO/c1-11(17)14-10-12(16)8-9-15(14)18-13-6-4-2-3-5-7-13/h8-11,13H,2-7,17H2,1H3/t11-/m0/s1
InChIKeySXHAMNZHYYOIBU-NSHDSACASA-N
MW312.25 g/mol
LogP4.57
Rot. Bonds3

About (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine

(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine (PubChem CID 82926734) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
PubChem CID82926734
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OC1CCCCCC1
InChIInChI=1S/C15H22BrNO/c1-11(17)14-10-12(16)8-9-15(14)18-13-6-4-2-3-5-7-13/h8-11,13H,2-7,17H2,1H3/t11-/m0/s1
InChIKeySXHAMNZHYYOIBU-NSHDSACASA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
3-(5-bromo-2-cyclobutyloxyphenyl)butanal
CID 117478597
3-[2-(1-aminoethyl)-4-bromophenoxy]azepan-2-one
CID 62369381
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine (CID 82926734) is (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine is C[C@H](N)c1cc(Br)ccc1OC1CCCCCC1.
What is the InChIKey of (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine?
The InChIKey is SXHAMNZHYYOIBU-NSHDSACASA-N. The full InChI is InChI=1S/C15H22BrNO/c1-11(17)14-10-12(16)8-9-15(14)18-13-6-4-2-3-5-7-13/h8-11,13H,2-7,17H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine?
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine is sourced from PubChem (CID 82926734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).