(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

C16H24BrNO — CID 103093379

IUPAC(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCCOc1ccc(Br)cc1/C=C(/C)C(C)NCC
InChIInChI=1S/C16H24BrNO/c1-5-9-19-16-8-7-15(17)11-14(16)10-12(3)13(4)18-6-2/h7-8,10-11,13,18H,5-6,9H2,1-4H3/b12-10-
InChIKeyCFNXOVGXVCFOML-BENRWUELSA-N
MW326.28 g/mol
LogP4.64
Rot. Bonds7

About (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine (PubChem CID 103093379) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
PubChem CID103093379
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
SMILESCCCOc1ccc(Br)cc1/C=C(/C)C(C)NCC
InChIInChI=1S/C16H24BrNO/c1-5-9-19-16-8-7-15(17)11-14(16)10-12(3)13(4)18-6-2/h7-8,10-11,13,18H,5-6,9H2,1-4H3/b12-10-
InChIKeyCFNXOVGXVCFOML-BENRWUELSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(5-bromo-2-propoxyphenyl)-3-methylbut-3-en-2-ol
CID 103091202
2-[(5-bromo-2-propoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79341999
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
(Z)-4-(3,5-dibromo-2-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092906
(E)-4-(5-bromo-2-propoxyphenyl)but-3-en-2-amine
CID 103091541
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-tert-butylbutan-1-amine
CID 79329522
3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
CID 79334203
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
3-(5-bromo-2-propoxyphenyl)prop-2-enal
CID 79330486
(E)-3-(5-bromo-2-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 170872964

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The IUPAC name of (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine (CID 103093379) is (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine.
What is the SMILES notation for (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The canonical SMILES for (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine is CCCOc1ccc(Br)cc1/C=C(/C)C(C)NCC.
What is the InChIKey of (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
The InChIKey is CFNXOVGXVCFOML-BENRWUELSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-5-9-19-16-8-7-15(17)11-14(16)10-12(3)13(4)18-6-2/h7-8,10-11,13,18H,5-6,9H2,1-4H3/b12-10-.
What are the key properties of (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine?
(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).