N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine

C15H23NO — CID 114470791

IUPACN-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine
SMILESC=C(C)CCOC(CNCC)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-16-12-15(17-11-10-13(2)3)14-8-6-5-7-9-14/h5-9,15-16H,2,4,10-12H2,1,3H3
InChIKeyNLFCSLUOPAFHJK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds8

About N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine

N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine (PubChem CID 114470791) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine
PubChem CID114470791
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine
SMILESC=C(C)CCOC(CNCC)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-16-12-15(17-11-10-13(2)3)14-8-6-5-7-9-14/h5-9,15-16H,2,4,10-12H2,1,3H3
InChIKeyNLFCSLUOPAFHJK-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
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

2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
N-[2-(3-methylbut-3-enoxy)propyl]aniline
CID 114470882
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738
bis(5-methylhex-5-enoxy)methylbenzene
CID 134837697
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine?
The IUPAC name of N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine (CID 114470791) is N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine?
The canonical SMILES for N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine is C=C(C)CCOC(CNCC)c1ccccc1.
What is the InChIKey of N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine?
The InChIKey is NLFCSLUOPAFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-12-15(17-11-10-13(2)3)14-8-6-5-7-9-14/h5-9,15-16H,2,4,10-12H2,1,3H3.
What are the key properties of N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine?
N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbut-3-enoxy)-2-phenylethanamine is sourced from PubChem (CID 114470791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).