N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine

C17H28N2O — CID 60935527

IUPACN-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCCOc1cc(C)ccc1NC1CC(C)N(C)CC1C
InChIInChI=1S/C17H28N2O/c1-6-20-17-9-12(2)7-8-15(17)18-16-10-14(4)19(5)11-13(16)3/h7-9,13-14,16,18H,6,10-11H2,1-5H3
InChIKeyOAMGRDPMFVCEAI-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.53
Rot. Bonds4

About N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine

N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 60935527) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID60935527
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCCOc1cc(C)ccc1NC1CC(C)N(C)CC1C
InChIInChI=1S/C17H28N2O/c1-6-20-17-9-12(2)7-8-15(17)18-16-10-14(4)19(5)11-13(16)3/h7-9,13-14,16,18H,6,10-11H2,1-5H3
InChIKeyOAMGRDPMFVCEAI-UHFFFAOYSA-N
XLogP3.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43730175
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361
N-(3-methoxy-2,4-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43739091
N-(5-chloro-2-methylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665303
N-(2-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465704
2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63453509
2,5-dimethyl-4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenol
CID 106953917
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665336
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
2-ethoxy-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64759426
N-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,5-trimethylpiperidin-4-amine
CID 60792541

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine (CID 60935527) is N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine is CCOc1cc(C)ccc1NC1CC(C)N(C)CC1C.
What is the InChIKey of N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is OAMGRDPMFVCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-20-17-9-12(2)7-8-15(17)18-16-10-14(4)19(5)11-13(16)3/h7-9,13-14,16,18H,6,10-11H2,1-5H3.
What are the key properties of N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-methylphenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 60935527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).