N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine

C13H19NO — CID 79190639

IUPACN-ethyl-3-methyl-1-phenoxybut-3-en-2-amine
SMILESC=C(C)C(COc1ccccc1)NCC
InChIInChI=1S/C13H19NO/c1-4-14-13(11(2)3)10-15-12-8-6-5-7-9-12/h5-9,13-14H,2,4,10H2,1,3H3
InChIKeyVEFMARWOWLJZLW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds6

About N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine

N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine (PubChem CID 79190639) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-phenoxybut-3-en-2-amine
PubChem CID79190639
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-3-methyl-1-phenoxybut-3-en-2-amine
SMILESC=C(C)C(COc1ccccc1)NCC
InChIInChI=1S/C13H19NO/c1-4-14-13(11(2)3)10-15-12-8-6-5-7-9-12/h5-9,13-14H,2,4,10H2,1,3H3
InChIKeyVEFMARWOWLJZLW-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
[(2S,3S)-2-methoxy-3,4-dimethylpent-4-enoxy]benzene
CID 101026940
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
CID 142401703
CID 142401703
N-ethyl-4-methyl-1-phenoxyheptan-2-amine
CID 62715859
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
ethane;1-phenoxypropan-2-ol;propane
CID 90979198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine (CID 79190639) is N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine is C=C(C)C(COc1ccccc1)NCC.
What is the InChIKey of N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine?
The InChIKey is VEFMARWOWLJZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-14-13(11(2)3)10-15-12-8-6-5-7-9-12/h5-9,13-14H,2,4,10H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine?
N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine has a molecular weight of 205.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-phenoxybut-3-en-2-amine is sourced from PubChem (CID 79190639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).