1-(2,6-dimethylphenyl)ethenamine

C10H13N — CID 70299963

IUPAC1-(2,6-dimethylphenyl)ethenamine
SMILESC=C(N)c1c(C)cccc1C
InChIInChI=1S/C10H13N/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6H,3,11H2,1-2H3
InChIKeyZYYYQIJRZMQZDX-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.23
Rot. Bonds1

About 1-(2,6-dimethylphenyl)ethenamine

1-(2,6-dimethylphenyl)ethenamine (PubChem CID 70299963) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)ethenamine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)ethenamine
PubChem CID70299963
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name1-(2,6-dimethylphenyl)ethenamine
SMILESC=C(N)c1c(C)cccc1C
InChIInChI=1S/C10H13N/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6H,3,11H2,1-2H3
InChIKeyZYYYQIJRZMQZDX-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
CID 145320894
2,6-dimethylbenzenecarboximidamide
CID 5047790
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
CID 174000600
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 164584980
1-bromo-3-methyl-2-prop-1-en-2-ylbenzene
CID 139505974
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine
CID 143881060
(2E)-2-amino-1-(2-hydroxy-6-methylphenyl)-3-methylpenta-2,4-dien-1-one
CID 155327690
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
2,6-dimethylbenzoyl fluoride
CID 23235034
2,6-dimethylbenzoyl iodide
CID 87941795

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)ethenamine?
The IUPAC name of 1-(2,6-dimethylphenyl)ethenamine (CID 70299963) is 1-(2,6-dimethylphenyl)ethenamine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)ethenamine?
The canonical SMILES for 1-(2,6-dimethylphenyl)ethenamine is C=C(N)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)ethenamine?
The InChIKey is ZYYYQIJRZMQZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6H,3,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)ethenamine?
1-(2,6-dimethylphenyl)ethenamine has a molecular weight of 147.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)ethenamine is sourced from PubChem (CID 70299963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).