3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline

C18H29NO — CID 115998847

IUPAC3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCCOc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C18H29NO/c1-6-20-16-9-7-8-14(10-16)19-15-11-17(2,3)13-18(4,5)12-15/h7-10,15,19H,6,11-13H2,1-5H3
InChIKeyQHOQFVZAFSJYKK-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.10
Rot. Bonds4

About 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline

3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline (PubChem CID 115998847) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline.

Molecular Properties

Compound Name3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
PubChem CID115998847
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCCOc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C18H29NO/c1-6-20-16-9-7-8-14(10-16)19-15-11-17(2,3)13-18(4,5)12-15/h7-10,15,19H,6,11-13H2,1-5H3
InChIKeyQHOQFVZAFSJYKK-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472
N-(3-ethoxyphenyl)-1-propylpiperidin-4-amine
CID 54864978
(1R,4S)-N-(3-ethoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400669
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794
3-nitro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998744
N-[3-(2-bromophenyl)cyclobutyl]-3-ethoxyaniline
CID 63452973
4-[3-[(3,3-dimethylcyclopentyl)amino]phenoxy]butanenitrile
CID 80705014
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
N-tert-butyl-3-ethoxyaniline
CID 58745523
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The IUPAC name of 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline (CID 115998847) is 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline.
What is the SMILES notation for 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The canonical SMILES for 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline is CCOc1cccc(NC2CC(C)(C)CC(C)(C)C2)c1.
What is the InChIKey of 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The InChIKey is QHOQFVZAFSJYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-20-16-9-7-8-14(10-16)19-15-11-17(2,3)13-18(4,5)12-15/h7-10,15,19H,6,11-13H2,1-5H3.
What are the key properties of 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline has a molecular weight of 275.44 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline is sourced from PubChem (CID 115998847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).