(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane

C14H23NO — CID 176970768

IUPAC(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane
SMILESCC.Cc1cccc(C)c1/C(N)=C/C(C)O
InChIInChI=1S/C12H17NO.C2H6/c1-8-5-4-6-9(2)12(8)11(13)7-10(3)14;1-2/h4-7,10,14H,13H2,1-3H3;1-2H3/b11-7-;
InChIKeyAAQIBFFOUTWZTD-AJULUCINSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds2

About (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane

(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane (PubChem CID 176970768) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane.

Molecular Properties

Compound Name(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane
PubChem CID176970768
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane
SMILESCC.Cc1cccc(C)c1/C(N)=C/C(C)O
InChIInChI=1S/C12H17NO.C2H6/c1-8-5-4-6-9(2)12(8)11(13)7-10(3)14;1-2/h4-7,10,14H,13H2,1-3H3;1-2H3/b11-7-;
InChIKeyAAQIBFFOUTWZTD-AJULUCINSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
CID 145320894
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
CID 144517802
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583
bis(2-hydroxypropanoyl) 3-methylbenzene-1,2-dicarboxylate
CID 87093550
(Z)-4-[[4,5-dimethyl-2-(2,3,5-trimethylphenyl)-2H-quinolin-1-yl]oxy]pent-3-en-2-ol
CID 129054492
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane?
The IUPAC name of (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane (CID 176970768) is (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane.
What is the SMILES notation for (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane?
The canonical SMILES for (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane is CC.Cc1cccc(C)c1/C(N)=C/C(C)O.
What is the InChIKey of (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane?
The InChIKey is AAQIBFFOUTWZTD-AJULUCINSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-8-5-4-6-9(2)12(8)11(13)7-10(3)14;1-2/h4-7,10,14H,13H2,1-3H3;1-2H3/b11-7-;.
What are the key properties of (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane?
(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane has a molecular weight of 221.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane is sourced from PubChem (CID 176970768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).