(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine

C10H11BrN2O2 — CID 114385854

IUPAC(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(Br)cc1[N+](=O)[O-])CN
InChIInChI=1S/C10H11BrN2O2/c1-7(6-12)4-8-2-3-9(11)5-10(8)13(14)15/h2-5H,6,12H2,1H3/b7-4-
InChIKeyHEDZERFZQUGYNB-DAXSKMNVSA-N
MW271.11 g/mol
LogP2.72
Rot. Bonds3

About (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine

(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine (PubChem CID 114385854) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine
PubChem CID114385854
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ccc(Br)cc1[N+](=O)[O-])CN
InChIInChI=1S/C10H11BrN2O2/c1-7(6-12)4-8-2-3-9(11)5-10(8)13(14)15/h2-5H,6,12H2,1H3/b7-4-
InChIKeyHEDZERFZQUGYNB-DAXSKMNVSA-N
XLogP2.72
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]butanal
CID 114385835
4-bromo-1-[(Z)-2-(chloromethyl)but-1-enyl]-2-nitrobenzene
CID 114385842
ethyl 2-[(4-bromo-2-nitrophenyl)methylidene]butanoate
CID 168984405
(E)-4-(4-bromo-2-nitrophenyl)but-3-en-2-one
CID 114385821
(2Z)-2-[(4-bromo-2-nitrophenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 114385867
(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine
CID 114385733
tert-butyl (E)-3-(4-bromo-2-nitrophenyl)-2-(cyanomethyl)prop-2-enoate
CID 176640075
sodium;4-bromo-1-methyl-2-nitrobenzene;hydride
CID 174661083
(E)-4-(4-bromo-2-nitrophenyl)-N-propylbut-3-en-2-amine
CID 103092672
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
(1S)-1-(4-bromo-2-nitrophenyl)ethane-1,2-diamine
CID 131190762
2-N-(4-bromo-2-nitrophenyl)-3-methylbutane-1,2-diamine
CID 65192181

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine (CID 114385854) is (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine is C/C(=C/c1ccc(Br)cc1[N+](=O)[O-])CN.
What is the InChIKey of (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is HEDZERFZQUGYNB-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-7(6-12)4-8-2-3-9(11)5-10(8)13(14)15/h2-5H,6,12H2,1H3/b7-4-.
What are the key properties of (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine?
(Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 271.11 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromo-2-nitrophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114385854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).