3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine

C16H25ClN2O — CID 117239255

IUPAC3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
SMILESCCN1CCC(C(CN)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O/c1-2-19-9-7-13(8-10-19)14(11-18)12-20-16-6-4-3-5-15(16)17/h3-6,13-14H,2,7-12,18H2,1H3
InChIKeyWFQBLCHCLKUREM-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.03
Rot. Bonds6

About 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine

3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine (PubChem CID 117239255) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
PubChem CID117239255
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine
SMILESCCN1CCC(C(CN)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H25ClN2O/c1-2-19-9-7-13(8-10-19)14(11-18)12-20-16-6-4-3-5-15(16)17/h3-6,13-14H,2,7-12,18H2,1H3
InChIKeyWFQBLCHCLKUREM-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
3-(2-chlorophenoxy)-2-cyclopropylpropan-1-amine
CID 117245425
2-(1-ethylpiperidin-4-yl)-3-(4-methylphenoxy)propan-1-amine
CID 117239412
3-(2-chlorophenoxy)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 117237746
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920819
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
2-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethoxy]phenol
CID 117238771
2-[2-amino-2-(1-ethylpyrrolidin-3-yl)ethoxy]phenol
CID 117237323
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine (CID 117239255) is 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine is CCN1CCC(C(CN)COc2ccccc2Cl)CC1.
What is the InChIKey of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine?
The InChIKey is WFQBLCHCLKUREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-19-9-7-13(8-10-19)14(11-18)12-20-16-6-4-3-5-15(16)17/h3-6,13-14H,2,7-12,18H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine?
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine has a molecular weight of 296.84 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-amine is sourced from PubChem (CID 117239255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).