N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine

C14H21NO — CID 79589795

IUPACN-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine
SMILESCCNCCC=Cc1ccc(OC)cc1C
InChIInChI=1S/C14H21NO/c1-4-15-10-6-5-7-13-8-9-14(16-3)11-12(13)2/h5,7-9,11,15H,4,6,10H2,1-3H3
InChIKeyOCIRSUGWNOFZII-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.02
Rot. Bonds6

About N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine

N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine (PubChem CID 79589795) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine
PubChem CID79589795
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine
SMILESCCNCCC=Cc1ccc(OC)cc1C
InChIInChI=1S/C14H21NO/c1-4-15-10-6-5-7-13-8-9-14(16-3)11-12(13)2/h5,7-9,11,15H,4,6,10H2,1-3H3
InChIKeyOCIRSUGWNOFZII-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 103396908
2-(4-bromobut-1-enyl)-4-methoxy-1-methylbenzene
CID 170497358
1-[(E)-2-bromoethenyl]-4-methoxy-2-methylbenzene
CID 121395712
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
tert-butyl N-[4-(5-methoxy-2-methylphenyl)but-3-enyl]carbamate
CID 170490363
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
(E)-4-(2,6-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 116811330
4-methoxy-2-[4-(methylamino)but-1-enyl]benzonitrile
CID 170496210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine (CID 79589795) is N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine is CCNCCC=Cc1ccc(OC)cc1C.
What is the InChIKey of N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine?
The InChIKey is OCIRSUGWNOFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-10-6-5-7-13-8-9-14(16-3)11-12(13)2/h5,7-9,11,15H,4,6,10H2,1-3H3.
What are the key properties of N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine?
N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine is sourced from PubChem (CID 79589795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).