1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine

C16H25ClN2O — CID 142946036

IUPAC1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1ccc(Cl)c(OCCN2CCCC(N(C)C)C2)c1
InChIInChI=1S/C16H25ClN2O/c1-13-6-7-15(17)16(11-13)20-10-9-19-8-4-5-14(12-19)18(2)3/h6-7,11,14H,4-5,8-10,12H2,1-3H3
InChIKeyLEZMHNAGLMVGIV-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.05
Rot. Bonds5

About 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine

1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 142946036) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine
PubChem CID142946036
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1ccc(Cl)c(OCCN2CCCC(N(C)C)C2)c1
InChIInChI=1S/C16H25ClN2O/c1-13-6-7-15(17)16(11-13)20-10-9-19-8-4-5-14(12-19)18(2)3/h6-7,11,14H,4-5,8-10,12H2,1-3H3
InChIKeyLEZMHNAGLMVGIV-UHFFFAOYSA-N
XLogP3.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-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

(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
1-[2-(5-tert-butyl-2-methylphenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 170113334
N,N-dimethyl-1-[2-(6-methyl-2,3-dihydroindol-1-yl)ethyl]piperidin-3-amine
CID 123395600
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 99927697
3-(2-chloro-5-methylphenoxy)-1-cyclopropylpropan-1-one
CID 92931184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine (CID 142946036) is 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine is Cc1ccc(Cl)c(OCCN2CCCC(N(C)C)C2)c1.
What is the InChIKey of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is LEZMHNAGLMVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13-6-7-15(17)16(11-13)20-10-9-19-8-4-5-14(12-19)18(2)3/h6-7,11,14H,4-5,8-10,12H2,1-3H3.
What are the key properties of 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine?
1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 296.84 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 142946036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).