2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine

C16H25ClN2O — CID 106817344

IUPAC2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H25ClN2O/c1-3-20-14-5-4-8-19(11-14)16(10-18)13-7-6-12(2)15(17)9-13/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3
InChIKeyITHULIYWWRGCKB-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.15
Rot. Bonds5

About 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine

2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine (PubChem CID 106817344) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
PubChem CID106817344
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H25ClN2O/c1-3-20-14-5-4-8-19(11-14)16(10-18)13-7-6-12(2)15(17)9-13/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3
InChIKeyITHULIYWWRGCKB-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
2-(3-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 54985150
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965080
2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136337
2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985530
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
CID 54985578
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
2-(4-ethoxypiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 61218981
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine (CID 106817344) is 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine is CCOC1CCCN(C(CN)c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The InChIKey is ITHULIYWWRGCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-20-14-5-4-8-19(11-14)16(10-18)13-7-6-12(2)15(17)9-13/h6-7,9,14,16H,3-5,8,10-11,18H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 106817344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).