1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine

C15H24N2O — CID 61295726

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
SMILESCc1ccc(C)c(OCCN2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-5-6-13(2)15(10-12)18-9-8-17-7-3-4-14(16)11-17/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3
InChIKeyPKVCZXLZWLHDIN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine

1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine (PubChem CID 61295726) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
PubChem CID61295726
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
SMILESCc1ccc(C)c(OCCN2CCCC(N)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-5-6-13(2)15(10-12)18-9-8-17-7-3-4-14(16)11-17/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3
InChIKeyPKVCZXLZWLHDIN-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[(3S)-3-aminopiperidin-1-yl]-3-(2,5-dimethylphenoxy)propan-1-one
CID 124593638
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
3-[(3S)-1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 129403708
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine (CID 61295726) is 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine is Cc1ccc(C)c(OCCN2CCCC(N)C2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine?
The InChIKey is PKVCZXLZWLHDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-6-13(2)15(10-12)18-9-8-17-7-3-4-14(16)11-17/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine?
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 61295726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).