3-(2-ethylphenyl)-2-methylprop-2-en-1-amine

C12H17N — CID 79328915

IUPAC3-(2-ethylphenyl)-2-methylprop-2-en-1-amine
SMILESCCc1ccccc1C=C(C)CN
InChIInChI=1S/C12H17N/c1-3-11-6-4-5-7-12(11)8-10(2)9-13/h4-8H,3,9,13H2,1-2H3
InChIKeyPRRFKCFWYPPDFY-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.61
Rot. Bonds3

About 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine

3-(2-ethylphenyl)-2-methylprop-2-en-1-amine (PubChem CID 79328915) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-methylprop-2-en-1-amine
PubChem CID79328915
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-(2-ethylphenyl)-2-methylprop-2-en-1-amine
SMILESCCc1ccccc1C=C(C)CN
InChIInChI=1S/C12H17N/c1-3-11-6-4-5-7-12(11)8-10(2)9-13/h4-8H,3,9,13H2,1-2H3
InChIKeyPRRFKCFWYPPDFY-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-[(1E,5E)-6-(2-ethylphenyl)-2,5-dimethylhexa-1,5-dienyl]benzene
CID 171562977
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
(Z)-4-(2-ethylphenyl)-3-methylbut-3-en-2-ol
CID 103091261
3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329267
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
1,2-diethylbenzene;formamide
CID 157370947
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
(2-ethylphenyl)methanimine
CID 58827978
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine (CID 79328915) is 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine is CCc1ccccc1C=C(C)CN.
What is the InChIKey of 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is PRRFKCFWYPPDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-11-6-4-5-7-12(11)8-10(2)9-13/h4-8H,3,9,13H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine?
3-(2-ethylphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79328915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).