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

C18H31NO — CID 63490739

IUPACN-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
SMILESCCCCC(CC)COCc1ccccc1CNCC
InChIInChI=1S/C18H31NO/c1-4-7-10-16(5-2)14-20-15-18-12-9-8-11-17(18)13-19-6-3/h8-9,11-12,16,19H,4-7,10,13-15H2,1-3H3
InChIKeyPINFSVLOYCESCB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds11

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

N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine (PubChem CID 63490739) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
PubChem CID63490739
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
SMILESCCCCC(CC)COCc1ccccc1CNCC
InChIInChI=1S/C18H31NO/c1-4-7-10-16(5-2)14-20-15-18-12-9-8-11-17(18)13-19-6-3/h8-9,11-12,16,19H,4-7,10,13-15H2,1-3H3
InChIKeyPINFSVLOYCESCB-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63491260
N-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215
2-(2-ethylhexoxymethyl)benzonitrile
CID 43128129
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
CID 62290565
methyl 2-amino-6-(2-ethylhexoxymethyl)benzoate
CID 104825407
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
1-[3-bromo-4-(2-ethylhexoxymethyl)phenyl]-N-methylmethanamine
CID 102772493
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine (CID 63490739) is N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine is CCCCC(CC)COCc1ccccc1CNCC.
What is the InChIKey of N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is PINFSVLOYCESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-7-10-16(5-2)14-20-15-18-12-9-8-11-17(18)13-19-6-3/h8-9,11-12,16,19H,4-7,10,13-15H2,1-3H3.
What are the key properties of N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63490739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).