N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine

C17H27NO — CID 115894123

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESC=C(C)COCCNC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-19-11-10-18-15(5)17-8-6-16(7-9-17)14(3)4/h6-9,14-15,18H,1,10-12H2,2-5H3
InChIKeyTZJFALVIGPIHGO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115894123) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID115894123
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
SMILESC=C(C)COCCNC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO/c1-13(2)12-19-11-10-18-15(5)17-8-6-16(7-9-17)14(3)4/h6-9,14-15,18H,1,10-12H2,2-5H3
InChIKeyTZJFALVIGPIHGO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.05
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-phenylethanamine
CID 115698242
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-nitrophenyl)ethanamine
CID 115698245
1-(3-bromo-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894034
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
1-(5-bromofuran-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114465820
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
1-(2-chloro-4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 113348932
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 113258069
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine (CID 115894123) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine is C=C(C)COCCNC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is TZJFALVIGPIHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-19-11-10-18-15(5)17-8-6-16(7-9-17)14(3)4/h6-9,14-15,18H,1,10-12H2,2-5H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.05, 8 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-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115894123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).