1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine

C13H17BrClNO — CID 103162683

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)CC1CCC1
InChIInChI=1S/C13H17BrClNO/c1-17-13-10(6-9(15)7-11(13)14)12(16)5-8-3-2-4-8/h6-8,12H,2-5,16H2,1H3
InChIKeySDZDJDNBLSTUOM-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.30
Rot. Bonds4

About 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine (PubChem CID 103162683) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
PubChem CID103162683
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
SMILESCOc1c(Br)cc(Cl)cc1C(N)CC1CCC1
InChIInChI=1S/C13H17BrClNO/c1-17-13-10(6-9(15)7-11(13)14)12(16)5-8-3-2-4-8/h6-8,12H,2-5,16H2,1H3
InChIKeySDZDJDNBLSTUOM-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclopentylethanol
CID 61100159
(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethanol
CID 61100157
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
(3-bromo-5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181484
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
(3-bromo-5-chloro-2-methoxyphenyl)-(1-methylcyclohexyl)methanamine
CID 106826764
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine (CID 103162683) is 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine is COc1c(Br)cc(Cl)cc1C(N)CC1CCC1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine?
The InChIKey is SDZDJDNBLSTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-17-13-10(6-9(15)7-11(13)14)12(16)5-8-3-2-4-8/h6-8,12H,2-5,16H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine?
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine has a molecular weight of 318.64 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine is sourced from PubChem (CID 103162683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).