N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine

C14H21NO — CID 115698242

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
SMILESC=C(C)COCCNC(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)11-16-10-9-15-13(3)14-7-5-4-6-8-14/h4-8,13,15H,1,9-11H2,2-3H3
InChIKeySXFINTFPZZFKDT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine (PubChem CID 115698242) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
PubChem CID115698242
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
SMILESC=C(C)COCCNC(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)11-16-10-9-15-13(3)14-7-5-4-6-8-14/h4-8,13,15H,1,9-11H2,2-3H3
InChIKeySXFINTFPZZFKDT-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 114467427
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-nitrophenyl)ethanamine
CID 115698245
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
1-(3-bromo-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894034
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114465820
2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine (CID 115698242) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine is C=C(C)COCCNC(C)c1ccccc1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
The InChIKey is SXFINTFPZZFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)11-16-10-9-15-13(3)14-7-5-4-6-8-14/h4-8,13,15H,1,9-11H2,2-3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine is sourced from PubChem (CID 115698242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).