(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine

C15H21Br2NO — CID 103092906

IUPAC(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCCOc1c(Br)cc(Br)cc1/C=C(/C)C(C)NC
InChIInChI=1S/C15H21Br2NO/c1-5-6-19-15-12(7-10(2)11(3)18-4)8-13(16)9-14(15)17/h7-9,11,18H,5-6H2,1-4H3/b10-7-
InChIKeyXZPODALGPGKUIK-YFHOEESVSA-N
MW391.15 g/mol
LogP5.01
Rot. Bonds6

About (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine

(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine (PubChem CID 103092906) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
PubChem CID103092906
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
SMILESCCCOc1c(Br)cc(Br)cc1/C=C(/C)C(C)NC
InChIInChI=1S/C15H21Br2NO/c1-5-6-19-15-12(7-10(2)11(3)18-4)8-13(16)9-14(15)17/h7-9,11,18H,5-6H2,1-4H3/b10-7-
InChIKeyXZPODALGPGKUIK-YFHOEESVSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.15
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(3,5-dibromo-2-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093072
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
2-[(3,5-dibromo-2-propoxyphenyl)methylidene]butanal
CID 79335525
3,5-dibromo-2-propoxybenzaldehyde
CID 2167921
(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093379
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
(Z)-N,3-dimethyl-4-(4-propoxyphenyl)but-3-en-2-amine
CID 103092943
3-(3,5-dibromo-2-propoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79348115
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334570
(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol
CID 103091202

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine (CID 103092906) is (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine is CCCOc1c(Br)cc(Br)cc1/C=C(/C)C(C)NC.
What is the InChIKey of (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
The InChIKey is XZPODALGPGKUIK-YFHOEESVSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-5-6-19-15-12(7-10(2)11(3)18-4)8-13(16)9-14(15)17/h7-9,11,18H,5-6H2,1-4H3/b10-7-.
What are the key properties of (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine?
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine has a molecular weight of 391.15 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103092906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).