N-(2-ethylhexyl)-2-(methoxymethyl)aniline

C16H27NO — CID 63491201

IUPACN-(2-ethylhexyl)-2-(methoxymethyl)aniline
SMILESCCCCC(CC)CNc1ccccc1COC
InChIInChI=1S/C16H27NO/c1-4-6-9-14(5-2)12-17-16-11-8-7-10-15(16)13-18-3/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3
InChIKeyZVCYNRSGQKOKNB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.46
Rot. Bonds9

About N-(2-ethylhexyl)-2-(methoxymethyl)aniline

N-(2-ethylhexyl)-2-(methoxymethyl)aniline (PubChem CID 63491201) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-(methoxymethyl)aniline
PubChem CID63491201
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2-ethylhexyl)-2-(methoxymethyl)aniline
SMILESCCCCC(CC)CNc1ccccc1COC
InChIInChI=1S/C16H27NO/c1-4-6-9-14(5-2)12-17-16-11-8-7-10-15(16)13-18-3/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3
InChIKeyZVCYNRSGQKOKNB-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
3-bromo-N-(2-ethylhexyl)-2-methylaniline
CID 107633893
1-N-(2-ethylhexyl)-3-propoxybenzene-1,2-diamine
CID 107819831
2-(methoxymethyl)-N-(2-propoxyethyl)aniline
CID 106451815
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
2-amino-3-[2-(methoxymethyl)anilino]propanamide
CID 103247186
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-(2-fluoroethyl)-2-(methoxymethyl)aniline
CID 80695014
2-bromo-6-(2-ethylhexylamino)benzoic acid
CID 107818214

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(2-ethylhexyl)-2-(methoxymethyl)aniline (CID 63491201) is N-(2-ethylhexyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(2-ethylhexyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(2-ethylhexyl)-2-(methoxymethyl)aniline is CCCCC(CC)CNc1ccccc1COC.
What is the InChIKey of N-(2-ethylhexyl)-2-(methoxymethyl)aniline?
The InChIKey is ZVCYNRSGQKOKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-9-14(5-2)12-17-16-11-8-7-10-15(16)13-18-3/h7-8,10-11,14,17H,4-6,9,12-13H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-2-(methoxymethyl)aniline?
N-(2-ethylhexyl)-2-(methoxymethyl)aniline has a molecular weight of 249.40 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 63491201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).