(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane

C12H19Br2N3 — CID 144642375

IUPAC(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane
SMILESCC.N/C(Br)=C(/Br)N(N)CCc1ccccc1
InChIInChI=1S/C10H13Br2N3.C2H6/c11-9(13)10(12)15(14)7-6-8-4-2-1-3-5-8;1-2/h1-5H,6-7,13-14H2;1-2H3/b10-9-;
InChIKeyPGKHWVQAOURGHU-KVVVOXFISA-N
MW365.11 g/mol
LogP3.31
Rot. Bonds4

About (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane

(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane (PubChem CID 144642375) has the molecular formula C12H19Br2N3 and a molecular weight of 365.11 g/mol. Its IUPAC name is (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane.

Molecular Properties

Compound Name(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane
PubChem CID144642375
Molecular FormulaC12H19Br2N3
Molecular Weight365.11 g/mol
Exact Mass362.99
IUPAC Name(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane
SMILESCC.N/C(Br)=C(/Br)N(N)CCc1ccccc1
InChIInChI=1S/C10H13Br2N3.C2H6/c11-9(13)10(12)15(14)7-6-8-4-2-1-3-5-8;1-2/h1-5H,6-7,13-14H2;1-2H3/b10-9-;
InChIKeyPGKHWVQAOURGHU-KVVVOXFISA-N
XLogP3.31
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diamino-N-(2-phenylethyl)ethanimidamide
CID 143176208
N,N-diamino-2-phenylethanamine
CID 18409381
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-amino-1-(4-phenylbutyl)urea
CID 170908979
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
ethane;methane;2-phenylethylbenzene
CID 158652330
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
CID 156522412
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane?
The IUPAC name of (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane (CID 144642375) is (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane.
What is the SMILES notation for (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane?
The canonical SMILES for (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane is CC.N/C(Br)=C(/Br)N(N)CCc1ccccc1.
What is the InChIKey of (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane?
The InChIKey is PGKHWVQAOURGHU-KVVVOXFISA-N. The full InChI is InChI=1S/C10H13Br2N3.C2H6/c11-9(13)10(12)15(14)7-6-8-4-2-1-3-5-8;1-2/h1-5H,6-7,13-14H2;1-2H3/b10-9-;.
What are the key properties of (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane?
(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane has a molecular weight of 365.11 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane is sourced from PubChem (CID 144642375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).