N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

C15H23NO — CID 115897877

IUPACN-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1c(C)cccc1C
InChIInChI=1S/C15H23NO/c1-12(2)11-17-9-8-16-10-15-13(3)6-5-7-14(15)4/h5-7,16H,1,8-11H2,2-4H3
InChIKeyVPCZJOHWDYDSMH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds7

About N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine

N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 115897877) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID115897877
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCc1c(C)cccc1C
InChIInChI=1S/C15H23NO/c1-12(2)11-17-9-8-16-10-15-13(3)6-5-7-14(15)4/h5-7,16H,1,8-11H2,2-4H3
InChIKeyVPCZJOHWDYDSMH-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

3-chloro-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 115699232
3-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzene-1,2-diol
CID 113357946
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
N-[(4-iodophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467379
2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243
N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113258303
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114465996
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
2-bromo-N-[(2,6-dimethylphenyl)methyl]prop-2-en-1-amine
CID 115897820
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 103769451

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine (CID 115897877) is N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCc1c(C)cccc1C.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is VPCZJOHWDYDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)11-17-9-8-16-10-15-13(3)6-5-7-14(15)4/h5-7,16H,1,8-11H2,2-4H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine?
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 115897877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).