(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine

C13H19NO — CID 117294018

IUPAC(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
SMILESCCOc1c(/C=C/CN)ccc(C)c1C
InChIInChI=1S/C13H19NO/c1-4-15-13-11(3)10(2)7-8-12(13)6-5-9-14/h5-8H,4,9,14H2,1-3H3/b6-5+
InChIKeyCUGJSDPVXFHBJQ-AATRIKPKSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds4

About (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine

(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine (PubChem CID 117294018) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
PubChem CID117294018
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine
SMILESCCOc1c(/C=C/CN)ccc(C)c1C
InChIInChI=1S/C13H19NO/c1-4-15-13-11(3)10(2)7-8-12(13)6-5-9-14/h5-8H,4,9,14H2,1-3H3/b6-5+
InChIKeyCUGJSDPVXFHBJQ-AATRIKPKSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
(E)-3-(4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117285356
(E)-3-(3-methoxy-4-methyl-2-propan-2-ylphenyl)prop-2-en-1-amine
CID 117313206
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
CID 169463810
1-chloro-2-ethoxy-3,4-dimethylbenzene
CID 143804425
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921
O-[(2-ethoxy-3,4-dimethylphenyl)methyl]hydroxylamine
CID 117285502
(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
CID 82282686
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
CID 20690288
(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352404
3-(4-chloro-2-methylphenyl)prop-2-en-1-amine
CID 169463160
(E)-3-(3-bromo-2,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117432746

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine (CID 117294018) is (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine is CCOc1c(/C=C/CN)ccc(C)c1C.
What is the InChIKey of (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is CUGJSDPVXFHBJQ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-13-11(3)10(2)7-8-12(13)6-5-9-14/h5-8H,4,9,14H2,1-3H3/b6-5+.
What are the key properties of (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine?
(E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxy-3,4-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117294018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).