(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane

C13H21F3N4 — CID 144730879

IUPAC(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane
SMILESCC.CC(c1ccc(C(F)(F)F)cc1)N(N)/C(N)=C\N
InChIInChI=1S/C11H15F3N4.C2H6/c1-7(18(17)10(16)6-15)8-2-4-9(5-3-8)11(12,13)14;1-2/h2-7H,15-17H2,1H3;1-2H3/b10-6-;
InChIKeyRRKKFXKYPYJDPO-OTUCAILMSA-N
MW290.33 g/mol
LogP2.68
Rot. Bonds3

About (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane

(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane (PubChem CID 144730879) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane.

Molecular Properties

Compound Name(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane
PubChem CID144730879
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane
SMILESCC.CC(c1ccc(C(F)(F)F)cc1)N(N)/C(N)=C\N
InChIInChI=1S/C11H15F3N4.C2H6/c1-7(18(17)10(16)6-15)8-2-4-9(5-3-8)11(12,13)14;1-2/h2-7H,15-17H2,1H3;1-2H3/b10-6-;
InChIKeyRRKKFXKYPYJDPO-OTUCAILMSA-N
XLogP2.68
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
1-hydroxy-1-[1-[4-[1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]ethyl]urea
CID 19868741
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
N'-hydroxy-2-[4-(trifluoromethyl)phenyl]propanimidamide
CID 122674174
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane?
The IUPAC name of (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane (CID 144730879) is (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane.
What is the SMILES notation for (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane?
The canonical SMILES for (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane is CC.CC(c1ccc(C(F)(F)F)cc1)N(N)/C(N)=C\N.
What is the InChIKey of (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane?
The InChIKey is RRKKFXKYPYJDPO-OTUCAILMSA-N. The full InChI is InChI=1S/C11H15F3N4.C2H6/c1-7(18(17)10(16)6-15)8-2-4-9(5-3-8)11(12,13)14;1-2/h2-7H,15-17H2,1H3;1-2H3/b10-6-;.
What are the key properties of (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane?
(Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane has a molecular weight of 290.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethene-1,2-diamine;ethane is sourced from PubChem (CID 144730879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).