N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine

C17H25NO — CID 144948591

IUPACN-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine
SMILESC=C(NCCOC)c1ccc(C)c(C(C)=C(C)C)c1
InChIInChI=1S/C17H25NO/c1-12(2)14(4)17-11-16(8-7-13(17)3)15(5)18-9-10-19-6/h7-8,11,18H,5,9-10H2,1-4,6H3
InChIKeyHDPIMOQVSLRLIG-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.02
Rot. Bonds6

About N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine

N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine (PubChem CID 144948591) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine
PubChem CID144948591
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine
SMILESC=C(NCCOC)c1ccc(C)c(C(C)=C(C)C)c1
InChIInChI=1S/C17H25NO/c1-12(2)14(4)17-11-16(8-7-13(17)3)15(5)18-9-10-19-6/h7-8,11,18H,5,9-10H2,1-4,6H3
InChIKeyHDPIMOQVSLRLIG-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.02
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

N-[1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenyl]propan-1-amine
CID 156841468
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
methyl 4-amino-3-(2-methoxyethylcarbamoyl)benzoate
CID 89026105
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322293
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine?
The IUPAC name of N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine (CID 144948591) is N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine?
The canonical SMILES for N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine is C=C(NCCOC)c1ccc(C)c(C(C)=C(C)C)c1.
What is the InChIKey of N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine?
The InChIKey is HDPIMOQVSLRLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)14(4)17-11-16(8-7-13(17)3)15(5)18-9-10-19-6/h7-8,11,18H,5,9-10H2,1-4,6H3.
What are the key properties of N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine?
N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine has a molecular weight of 259.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[4-methyl-3-(3-methylbut-2-en-2-yl)phenyl]ethenamine is sourced from PubChem (CID 144948591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).