N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine

C15H23NO — CID 106792394

IUPACN-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(C)cc1OC
InChIInChI=1S/C15H23NO/c1-5-7-8-14(16-6-2)13-10-9-12(3)11-15(13)17-4/h5,9-11,14,16H,1,6-8H2,2-4H3
InChIKeyHOBHWIRXRXFCHR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.62
Rot. Bonds7

About N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine

N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine (PubChem CID 106792394) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
PubChem CID106792394
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1ccc(C)cc1OC
InChIInChI=1S/C15H23NO/c1-5-7-8-14(16-6-2)13-10-9-12(3)11-15(13)17-4/h5,9-11,14,16H,1,6-8H2,2-4H3
InChIKeyHOBHWIRXRXFCHR-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.62
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

1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792320
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine (CID 106792394) is N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine is C=CCCC(NCC)c1ccc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine?
The InChIKey is HOBHWIRXRXFCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-7-8-14(16-6-2)13-10-9-12(3)11-15(13)17-4/h5,9-11,14,16H,1,6-8H2,2-4H3.
What are the key properties of N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine?
N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-4-methylphenyl)pent-4-en-1-amine is sourced from PubChem (CID 106792394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).