N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine

C18H31NO — CID 63491260

IUPACN-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
SMILESCCCCC(CC)COCc1ccc(CNCC)cc1
InChIInChI=1S/C18H31NO/c1-4-7-8-16(5-2)14-20-15-18-11-9-17(10-12-18)13-19-6-3/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeyWFHWATQNTMWHRZ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.53
Rot. Bonds11

About N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine

N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine (PubChem CID 63491260) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
PubChem CID63491260
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
SMILESCCCCC(CC)COCc1ccc(CNCC)cc1
InChIInChI=1S/C18H31NO/c1-4-7-8-16(5-2)14-20-15-18-11-9-17(10-12-18)13-19-6-3/h9-12,16,19H,4-8,13-15H2,1-3H3
InChIKeyWFHWATQNTMWHRZ-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-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215
N-[[2-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490739
1-tert-butyl-4-(2-ethylhexoxymethyl)benzene
CID 134220783
3-[4-(2-ethylhexoxymethyl)phenyl]prop-2-enoic acid
CID 76996157
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
5-(2-ethylhexoxymethyl)-N-propylpyridin-2-amine
CID 63486716
1-[3-bromo-4-(2-ethylhexoxymethyl)phenyl]-N-methylmethanamine
CID 102772493
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
CID 62455416
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
[4-(2-ethylhexoxymethyl)-2-pyridinyl]hydrazine
CID 62464671
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine (CID 63491260) is N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine is CCCCC(CC)COCc1ccc(CNCC)cc1.
What is the InChIKey of N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is WFHWATQNTMWHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-7-8-16(5-2)14-20-15-18-11-9-17(10-12-18)13-19-6-3/h9-12,16,19H,4-8,13-15H2,1-3H3.
What are the key properties of N-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine?
N-[[4-(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-[[4-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63491260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).