(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine

C14H19Br2N — CID 114077605

IUPAC(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(Br)c(Br)c1)CNC(C)(C)C
InChIInChI=1S/C14H19Br2N/c1-10(9-17-14(2,3)4)7-11-5-6-12(15)13(16)8-11/h5-8,17H,9H2,1-4H3/b10-7-
InChIKeyJLTQDYYPDZRZGB-YFHOEESVSA-N
MW361.12 g/mol
LogP5.00
Rot. Bonds3

About (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine

(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine (PubChem CID 114077605) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
PubChem CID114077605
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(Br)c(Br)c1)CNC(C)(C)C
InChIInChI=1S/C14H19Br2N/c1-10(9-17-14(2,3)4)7-11-5-6-12(15)13(16)8-11/h5-8,17H,9H2,1-4H3/b10-7-
InChIKeyJLTQDYYPDZRZGB-YFHOEESVSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine (CID 114077605) is (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine is C/C(=C/c1ccc(Br)c(Br)c1)CNC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is JLTQDYYPDZRZGB-YFHOEESVSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-10(9-17-14(2,3)4)7-11-5-6-12(15)13(16)8-11/h5-8,17H,9H2,1-4H3/b10-7-.
What are the key properties of (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine?
(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 361.12 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114077605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).