3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine

C12H14BrNO — CID 103393892

IUPAC3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine
SMILESCOc1ccc(Br)cc1C=C1CC(N)C1
InChIInChI=1S/C12H14BrNO/c1-15-12-3-2-10(13)7-9(12)4-8-5-11(14)6-8/h2-4,7,11H,5-6,14H2,1H3/b8-4-
InChIKeySCAHAPFNLVLXKT-YWEYNIOJSA-N
MW268.15 g/mol
LogP2.96
Rot. Bonds2

About 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine

3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine (PubChem CID 103393892) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine
PubChem CID103393892
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine
SMILESCOc1ccc(Br)cc1C=C1CC(N)C1
InChIInChI=1S/C12H14BrNO/c1-15-12-3-2-10(13)7-9(12)4-8-5-11(14)6-8/h2-4,7,11H,5-6,14H2,1H3/b8-4-
InChIKeySCAHAPFNLVLXKT-YWEYNIOJSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene
CID 156741287
(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 63969477
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3511998
4-bromo-2-(3-bromo-2-methylprop-1-enyl)-1-methoxybenzene
CID 79323542
(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3H-inden-1-one
CID 2442669
(E)-3-(5-bromo-2-methoxyphenyl)-N-(diaminomethylidene)prop-2-enamide
CID 11358434
(Z)-(5-bromo-2-methoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 11865261
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
4-[(3-bromo-4-methoxyphenyl)methylidene]cyclohexan-1-amine
CID 79880419
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 7485982
3-(5-bromo-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 79347023

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine (CID 103393892) is 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine is COc1ccc(Br)cc1C=C1CC(N)C1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine?
The InChIKey is SCAHAPFNLVLXKT-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-15-12-3-2-10(13)7-9(12)4-8-5-11(14)6-8/h2-4,7,11H,5-6,14H2,1H3/b8-4-.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine?
3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine has a molecular weight of 268.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine is sourced from PubChem (CID 103393892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).