(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine

C14H21NO — CID 27242330

IUPAC(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine
SMILESCCNC/C=C/COc1cccc(C)c1C
InChIInChI=1S/C14H21NO/c1-4-15-10-5-6-11-16-14-9-7-8-12(2)13(14)3/h5-9,15H,4,10-11H2,1-3H3/b6-5+
InChIKeyFQVKHLWVDAVPOU-AATRIKPKSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds6

About (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine

(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine (PubChem CID 27242330) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine
PubChem CID27242330
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine
SMILESCCNC/C=C/COc1cccc(C)c1C
InChIInChI=1S/C14H21NO/c1-4-15-10-5-6-11-16-14-9-7-8-12(2)13(14)3/h5-9,15H,4,10-11H2,1-3H3/b6-5+
InChIKeyFQVKHLWVDAVPOU-AATRIKPKSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
(2,3-dimethylphenyl) N-ethylcarbamate
CID 127545689
(2-methyl-3-pent-2-enoxyphenyl)methanol
CID 175150852
N-[[2-(2,3-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62297631
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
3-(2,3-dimethoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79346794
1-(2,3-dimethylphenoxy)-N-ethylpentan-2-amine
CID 62042546
N'-[2-(2,3-dimethylphenoxy)acetyl]hexanehydrazide
CID 17343961
1-[(E)-but-2-enoxy]-2-methylbenzene
CID 60773432
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine?
The IUPAC name of (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine (CID 27242330) is (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine?
The canonical SMILES for (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine is CCNC/C=C/COc1cccc(C)c1C.
What is the InChIKey of (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine?
The InChIKey is FQVKHLWVDAVPOU-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-10-5-6-11-16-14-9-7-8-12(2)13(14)3/h5-9,15H,4,10-11H2,1-3H3/b6-5+.
What are the key properties of (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine?
(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine is sourced from PubChem (CID 27242330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).