(Z)-3-(4-bromophenyl)prop-2-en-1-amine

C9H10BrN — CID 124584834

IUPAC(Z)-3-(4-bromophenyl)prop-2-en-1-amine
SMILESNC/C=C\c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7,11H2/b2-1-
InChIKeyMJRCYLHKDBOJSD-UPHRSURJSA-N
MW212.09 g/mol
LogP2.42
Rot. Bonds2

About (Z)-3-(4-bromophenyl)prop-2-en-1-amine

(Z)-3-(4-bromophenyl)prop-2-en-1-amine (PubChem CID 124584834) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)prop-2-en-1-amine
PubChem CID124584834
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(Z)-3-(4-bromophenyl)prop-2-en-1-amine
SMILESNC/C=C\c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7,11H2/b2-1-
InChIKeyMJRCYLHKDBOJSD-UPHRSURJSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
(E)-3-[4-(4-bromopyrazol-1-yl)phenyl]prop-2-en-1-amine
CID 117445633
1-bromo-4-[(E)-4-chlorobut-1-enyl]benzene
CID 82085965
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
1-bromo-4-[(1E)-hexa-1,5-dienyl]benzene
CID 101128597
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
(E)-3-[4-(3-aminoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169464031
(E)-5-(4-bromophenyl)pent-4-en-1-ol
CID 125476548
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739
4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline
CID 171836943
(E)-5-(4-bromophenyl)pent-4-en-2-one
CID 131239748
3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
CID 169464639

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-bromophenyl)prop-2-en-1-amine (CID 124584834) is (Z)-3-(4-bromophenyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-bromophenyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-bromophenyl)prop-2-en-1-amine is NC/C=C\c1ccc(Br)cc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)prop-2-en-1-amine?
The InChIKey is MJRCYLHKDBOJSD-UPHRSURJSA-N. The full InChI is InChI=1S/C9H10BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7,11H2/b2-1-.
What are the key properties of (Z)-3-(4-bromophenyl)prop-2-en-1-amine?
(Z)-3-(4-bromophenyl)prop-2-en-1-amine has a molecular weight of 212.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)prop-2-en-1-amine is sourced from PubChem (CID 124584834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).