(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine

C12H17N — CID 55294117

IUPAC(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cccc(C)c1CC
InChIInChI=1S/C12H17N/c1-4-10-9(3)7-6-8-11(10)12(13)5-2/h5-8,12H,2,4,13H2,1,3H3/t12-/m1/s1
InChIKeyMWNPUGVXNCKAHK-GFCCVEGCSA-N
MW175.27 g/mol
LogP2.74
Rot. Bonds3

About (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine

(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine (PubChem CID 55294117) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
PubChem CID55294117
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cccc(C)c1CC
InChIInChI=1S/C12H17N/c1-4-10-9(3)7-6-8-11(10)12(13)5-2/h5-8,12H,2,4,13H2,1,3H3/t12-/m1/s1
InChIKeyMWNPUGVXNCKAHK-GFCCVEGCSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine (CID 55294117) is (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine is C=C[C@@H](N)c1cccc(C)c1CC.
What is the InChIKey of (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine?
The InChIKey is MWNPUGVXNCKAHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N/c1-4-10-9(3)7-6-8-11(10)12(13)5-2/h5-8,12H,2,4,13H2,1,3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine?
(1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-ethyl-3-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 55294117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).