N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine

C14H23NO — CID 62445506

IUPACN-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COCC(C)C
InChIInChI=1S/C14H23NO/c1-4-15-9-13-7-5-6-8-14(13)11-16-10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyJVKAXNASGITJQY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds7

About N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine

N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine (PubChem CID 62445506) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
PubChem CID62445506
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COCC(C)C
InChIInChI=1S/C14H23NO/c1-4-15-9-13-7-5-6-8-14(13)11-16-10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyJVKAXNASGITJQY-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
N-[2-[[2-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505882
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490739
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
2-[2-(2-methylpropoxymethyl)phenyl]ethanamine
CID 115464547
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684
2-(ethylaminomethyl)phenol
CID 12995218

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine (CID 62445506) is N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine is CCNCc1ccccc1COCC(C)C.
What is the InChIKey of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is JVKAXNASGITJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15-9-13-7-5-6-8-14(13)11-16-10-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine?
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62445506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).