2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline

C18H29NO — CID 63453509

IUPAC2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCCOc1cc(C)ccc1NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H29NO/c1-6-20-17-10-13(2)7-8-16(17)19-15-9-14(3)11-18(4,5)12-15/h7-8,10,14-15,19H,6,9,11-12H2,1-5H3
InChIKeyBOLPONUOFMCBAM-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.02
Rot. Bonds4

About 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline

2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 63453509) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID63453509
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCCOc1cc(C)ccc1NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C18H29NO/c1-6-20-17-10-13(2)7-8-16(17)19-15-9-14(3)11-18(4,5)12-15/h7-8,10,14-15,19H,6,9,11-12H2,1-5H3
InChIKeyBOLPONUOFMCBAM-UHFFFAOYSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-ethoxy-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63450861
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64759426
4-(ethoxymethoxy)-2-N-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 118311113
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 60935527
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
4-[3-amino-4-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]phenoxy]butanoic acid
CID 118310276
2-[3-amino-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]phenoxy]acetic acid
CID 118310326
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63418656
2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 118318364
2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63425329

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline (CID 63453509) is 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline is CCOc1cc(C)ccc1NC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is BOLPONUOFMCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-20-17-10-13(2)7-8-16(17)19-15-9-14(3)11-18(4,5)12-15/h7-8,10,14-15,19H,6,9,11-12H2,1-5H3.
What are the key properties of 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 275.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 63453509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).