N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine

C18H31NO — CID 63485344

IUPACN-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
SMILESCCCCC(CC)COc1ccc(C)cc1CNCC
InChIInChI=1S/C18H31NO/c1-5-8-9-16(6-2)14-20-18-11-10-15(4)12-17(18)13-19-7-3/h10-12,16,19H,5-9,13-14H2,1-4H3
InChIKeyGUWKLKJONFEGPB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.70
Rot. Bonds10

About N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine

N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine (PubChem CID 63485344) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
PubChem CID63485344
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
SMILESCCCCC(CC)COc1ccc(C)cc1CNCC
InChIInChI=1S/C18H31NO/c1-5-8-9-16(6-2)14-20-18-11-10-15(4)12-17(18)13-19-7-3/h10-12,16,19H,5-9,13-14H2,1-4H3
InChIKeyGUWKLKJONFEGPB-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
CID 63499914
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
N-[[2-(2-ethylbutoxy)-5-methylphenyl]methyl]-2-methylpropan-2-amine
CID 82925961
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
CID 62290565
1-(2-ethylhexoxy)-4-methyl-2-nitrobenzene
CID 90285716
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
N-[[4-(2-ethylhexoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254026
3-[2-(2-ethylhexoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 63418926
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine (CID 63485344) is N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine is CCCCC(CC)COc1ccc(C)cc1CNCC.
What is the InChIKey of N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine?
The InChIKey is GUWKLKJONFEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-8-9-16(6-2)14-20-18-11-10-15(4)12-17(18)13-19-7-3/h10-12,16,19H,5-9,13-14H2,1-4H3.
What are the key properties of N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine?
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 63485344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).