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

C16H25NO — CID 105039454

IUPACN-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H25NO/c1-6-17-15(10-7-12(2)3)14-9-8-13(4)16(11-14)18-5/h8-9,11,15,17H,2,6-7,10H2,1,3-5H3
InChIKeyPYBVLSCDJLEUCW-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.01
Rot. Bonds7

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

N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine (PubChem CID 105039454) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
PubChem CID105039454
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H25NO/c1-6-17-15(10-7-12(2)3)14-9-8-13(4)16(11-14)18-5/h8-9,11,15,17H,2,6-7,10H2,1,3-5H3
InChIKeyPYBVLSCDJLEUCW-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.01
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-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
N,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039781
[1-(4-fluoro-3-methoxyphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335863
N-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 105039166
N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 105000819
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine (CID 105039454) is N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1ccc(C)c(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine?
The InChIKey is PYBVLSCDJLEUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-17-15(10-7-12(2)3)14-9-8-13(4)16(11-14)18-5/h8-9,11,15,17H,2,6-7,10H2,1,3-5H3.
What are the key properties of N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine?
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 105039454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).