N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine

C15H23NO — CID 105005455

IUPACN-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
SMILESC=C(C)C(CCc1ccc(OC)cc1)NCC
InChIInChI=1S/C15H23NO/c1-5-16-15(12(2)3)11-8-13-6-9-14(17-4)10-7-13/h6-7,9-10,15-16H,2,5,8,11H2,1,3-4H3
InChIKeyZXUKWQCXUKXOAU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds7

About N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine

N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine (PubChem CID 105005455) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
PubChem CID105005455
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
SMILESC=C(C)C(CCc1ccc(OC)cc1)NCC
InChIInChI=1S/C15H23NO/c1-5-16-15(12(2)3)11-8-13-6-9-14(17-4)10-7-13/h6-7,9-10,15-16H,2,5,8,11H2,1,3-4H3
InChIKeyZXUKWQCXUKXOAU-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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

5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375
1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339
1-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
(2S)-4-(4-methoxyphenyl)-2-(methylcarbamoylamino)butanoic acid
CID 139604971
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
1-(4-methoxyphenyl)-5-methylidene-N-propylheptan-3-amine
CID 105005908
N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 65445145
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
The IUPAC name of N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine (CID 105005455) is N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine.
What is the SMILES notation for N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
The canonical SMILES for N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine is C=C(C)C(CCc1ccc(OC)cc1)NCC.
What is the InChIKey of N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
The InChIKey is ZXUKWQCXUKXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-15(12(2)3)11-8-13-6-9-14(17-4)10-7-13/h6-7,9-10,15-16H,2,5,8,11H2,1,3-4H3.
What are the key properties of N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine?
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine is sourced from PubChem (CID 105005455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).