2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine

C19H31ClN2O — CID 83974680

IUPAC2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
SMILESCCOc1ccc(Cl)cc1C(CN)C1CCN(CC(C)C)CC1
InChIInChI=1S/C19H31ClN2O/c1-4-23-19-6-5-16(20)11-17(19)18(12-21)15-7-9-22(10-8-15)13-14(2)3/h5-6,11,14-15,18H,4,7-10,12-13,21H2,1-3H3
InChIKeyYBLQDXSNOKPOBW-UHFFFAOYSA-N
MW338.92 g/mol
LogP4.15
Rot. Bonds7

About 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine

2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine (PubChem CID 83974680) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
PubChem CID83974680
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
SMILESCCOc1ccc(Cl)cc1C(CN)C1CCN(CC(C)C)CC1
InChIInChI=1S/C19H31ClN2O/c1-4-23-19-6-5-16(20)11-17(19)18(12-21)15-7-9-22(10-8-15)13-14(2)3/h5-6,11,14-15,18H,4,7-10,12-13,21H2,1-3H3
InChIKeyYBLQDXSNOKPOBW-UHFFFAOYSA-N
XLogP4.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974682
2-(2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine
CID 83974409
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83974722
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-(5-tert-butyl-2-ethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83974980
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
(2S)-2-(5-chloro-2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetic acid
CID 97204833
4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine (CID 83974680) is 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine is CCOc1ccc(Cl)cc1C(CN)C1CCN(CC(C)C)CC1.
What is the InChIKey of 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine?
The InChIKey is YBLQDXSNOKPOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O/c1-4-23-19-6-5-16(20)11-17(19)18(12-21)15-7-9-22(10-8-15)13-14(2)3/h5-6,11,14-15,18H,4,7-10,12-13,21H2,1-3H3.
What are the key properties of 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine?
2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine has a molecular weight of 338.92 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 83974680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).