(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine

C9H12BrN3 — CID 145165497

IUPAC(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine
SMILESCN(N)/C=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3/c1-13(12)6-9(11)7-2-4-8(10)5-3-7/h2-6H,11-12H2,1H3/b9-6-
InChIKeyQGLQKVSNLOPPIN-TWGQIWQCSA-N
MW242.12 g/mol
LogP1.51
Rot. Bonds2

About (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine

(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine (PubChem CID 145165497) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine
PubChem CID145165497
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine
SMILESCN(N)/C=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3/c1-13(12)6-9(11)7-2-4-8(10)5-3-7/h2-6H,11-12H2,1H3/b9-6-
InChIKeyQGLQKVSNLOPPIN-TWGQIWQCSA-N
XLogP1.51
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-bromophenyl)-3-(dimethylamino)prop-2-enal
CID 13079816
1-(4-bromophenyl)-1-methylhydrazine
CID 12754267
4-bromo-N,N-dimethylbenzenecarbotelluroamide
CID 86022368
azane;1,4-dibromobenzene
CID 175259215
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
(Z)-2-bromo-3-(4-bromophenyl)but-2-enal
CID 174942428
(E)-2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile
CID 22317021
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
CID 83693969
1-bromo-4-(1-methoxyprop-1-enyl)benzene
CID 131859636
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine (CID 145165497) is (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine is CN(N)/C=C(\N)c1ccc(Br)cc1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine?
The InChIKey is QGLQKVSNLOPPIN-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-13(12)6-9(11)7-2-4-8(10)5-3-7/h2-6H,11-12H2,1H3/b9-6-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine?
(Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine has a molecular weight of 242.12 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-(4-bromophenyl)ethenamine is sourced from PubChem (CID 145165497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).