(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine

C11H14BrNO — CID 63969477

IUPAC(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
SMILESCOc1ccc(Br)cc1/C=C/CCN
InChIInChI=1S/C11H14BrNO/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-13/h2,4-6,8H,3,7,13H2,1H3/b4-2+
InChIKeyFWNYHJXMQQFRSA-DUXPYHPUSA-N
MW256.14 g/mol
LogP2.82
Rot. Bonds4

About (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine

(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine (PubChem CID 63969477) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
PubChem CID63969477
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
SMILESCOc1ccc(Br)cc1/C=C/CCN
InChIInChI=1S/C11H14BrNO/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-13/h2,4-6,8H,3,7,13H2,1H3/b4-2+
InChIKeyFWNYHJXMQQFRSA-DUXPYHPUSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-bromo-2-(difluoromethoxy)phenyl]but-3-en-1-amine
CID 76997310
4-(2-bromo-4,5-dimethoxyphenyl)but-3-en-1-amine
CID 76996979
1-[3-(4-aminobut-1-enyl)-4-methoxyphenyl]ethanone
CID 170487445
(E)-5-(2,5-dimethoxyphenyl)pent-4-en-1-amine
CID 95444282
3-(5-bromo-2-methoxyphenyl)-N-propylprop-2-en-1-amine
CID 79347023
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
4-[4-bromo-2-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 170488022
(E)-4-(4-methoxy-2,5-dimethylphenyl)but-3-en-1-amine
CID 82077157
4-chloro-2-(4-chlorobut-1-enyl)-1-methoxybenzene
CID 79019088
(E)-4-(2,6-dimethoxyphenyl)but-3-en-1-amine
CID 116811328
4-bromo-2-(3-bromo-2-methylprop-1-enyl)-1-methoxybenzene
CID 79323542
3-[(5-bromo-2-methoxyphenyl)methylidene]cyclobutan-1-amine
CID 103393892

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine?
The IUPAC name of (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine (CID 63969477) is (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine is COc1ccc(Br)cc1/C=C/CCN.
What is the InChIKey of (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine?
The InChIKey is FWNYHJXMQQFRSA-DUXPYHPUSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-11-6-5-10(12)8-9(11)4-2-3-7-13/h2,4-6,8H,3,7,13H2,1H3/b4-2+.
What are the key properties of (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine?
(E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine has a molecular weight of 256.14 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-bromo-2-methoxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 63969477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).