(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine

C11H16BrNO — CID 78936916

IUPAC(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(Br)cc1[C@H](C)N
InChIInChI=1S/C11H16BrNO/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-8H,13H2,1-3H3/t8-/m0/s1
InChIKeySOXNWMPAFYVANH-QMMMGPOBSA-N
MW258.16 g/mol
LogP3.26
Rot. Bonds3

About (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine

(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine (PubChem CID 78936916) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
PubChem CID78936916
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(Br)cc1[C@H](C)N
InChIInChI=1S/C11H16BrNO/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-8H,13H2,1-3H3/t8-/m0/s1
InChIKeySOXNWMPAFYVANH-QMMMGPOBSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
2-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-carbamoylpropanamide
CID 78937100
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-bromo-2-methoxy-1-propan-2-yloxybenzene
CID 11149245
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylpropanamide
CID 55068252
(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine (CID 78936916) is (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(Br)cc1[C@H](C)N.
What is the InChIKey of (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SOXNWMPAFYVANH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-8H,13H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine has a molecular weight of 258.16 g/mol, XLogP of 3.26, 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-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 78936916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).