N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline

C18H29NO — CID 83961757

IUPACN-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NCCC1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-13-20-18-10-9-15(2)14-17(18)19-12-11-16-7-5-4-6-8-16/h9-10,14,16,19H,3-8,11-13H2,1-2H3
InChIKeyJSNYXHSUIIKHTA-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.17
Rot. Bonds7

About N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline

N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline (PubChem CID 83961757) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
PubChem CID83961757
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NCCC1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-13-20-18-10-9-15(2)14-17(18)19-12-11-16-7-5-4-6-8-16/h9-10,14,16,19H,3-8,11-13H2,1-2H3
InChIKeyJSNYXHSUIIKHTA-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
N,5-dimethyl-2-propoxyaniline
CID 82263415
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
N-(2-cyclohexylethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660313
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
2-butyl-N-(2-cyclohexylethyl)aniline
CID 18361040

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline?
The IUPAC name of N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline (CID 83961757) is N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline?
The canonical SMILES for N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline is CCCOc1ccc(C)cc1NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline?
The InChIKey is JSNYXHSUIIKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-20-18-10-9-15(2)14-17(18)19-12-11-16-7-5-4-6-8-16/h9-10,14,16,19H,3-8,11-13H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline?
N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline has a molecular weight of 275.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline is sourced from PubChem (CID 83961757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).