N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine

C13H17N — CID 143797983

IUPACN-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)c1cccc(C)c1C
InChIInChI=1S/C13H17N/c1-9(2)14-12(5)13-8-6-7-10(3)11(13)4/h6-8,14H,1,5H2,2-4H3
InChIKeyGXUMKUKIULPNTP-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine

N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine (PubChem CID 143797983) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine
PubChem CID143797983
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine
SMILESC=C(C)NC(=C)c1cccc(C)c1C
InChIInChI=1S/C13H17N/c1-9(2)14-12(5)13-8-6-7-10(3)11(13)4/h6-8,14H,1,5H2,2-4H3
InChIKeyGXUMKUKIULPNTP-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2,3-dimethylphenyl)-2-methylprop-2-en-1-imine;ethane
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CID 175812414
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
ethane;N,2,3-trimethylbenzamide
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2,3-dimethylbenzohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine (CID 143797983) is N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine is C=C(C)NC(=C)c1cccc(C)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine?
The InChIKey is GXUMKUKIULPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9(2)14-12(5)13-8-6-7-10(3)11(13)4/h6-8,14H,1,5H2,2-4H3.
What are the key properties of N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine?
N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine has a molecular weight of 187.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 143797983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).