(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine

C11H14BrN — CID 6372024

IUPAC(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(\Br)c1ccccc1
InChIInChI=1S/C11H14BrN/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8-
InChIKeyLDJJCNFLMAYZKB-FLIBITNWSA-N
MW240.14 g/mol
LogP2.98
Rot. Bonds3

About (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine

(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine (PubChem CID 6372024) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
PubChem CID6372024
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
SMILESCN(C)C/C=C(\Br)c1ccccc1
InChIInChI=1S/C11H14BrN/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8-
InChIKeyLDJJCNFLMAYZKB-FLIBITNWSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromobut-1-enylbenzene
CID 73187599
[(Z)-1-bromo-3-chloroprop-1-enyl]benzene
CID 23371515
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine
CID 71320673
(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
CID 13167145
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
1-(3-bromophenyl)-4-(dimethylamino)-2-phenylbut-2-en-1-ol
CID 54101014
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
(2-bromo-2-phenylethenyl)boronic acid
CID 85303934
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916

Frequently Asked Questions

What is the IUPAC name of (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine (CID 6372024) is (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine is CN(C)C/C=C(\Br)c1ccccc1.
What is the InChIKey of (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine?
The InChIKey is LDJJCNFLMAYZKB-FLIBITNWSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8-.
What are the key properties of (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine?
(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 6372024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).