2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine

C17H27ClN2 — CID 106817408

IUPAC2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-4-17(3)7-9-20(10-8-17)16(12-19)14-6-5-13(2)15(18)11-14/h5-6,11,16H,4,7-10,12,19H2,1-3H3
InChIKeyCLZBDFDJSUEPQF-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.16
Rot. Bonds4

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

2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (PubChem CID 106817408) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
PubChem CID106817408
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C17H27ClN2/c1-4-17(3)7-9-20(10-8-17)16(12-19)14-6-5-13(2)15(18)11-14/h5-6,11,16H,4,7-10,12,19H2,1-3H3
InChIKeyCLZBDFDJSUEPQF-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157455
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 106817440
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163205
2-(3-chloro-4-methylphenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 106817340
2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 106817369
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
CID 83979614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine (CID 106817408) is 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is CCC1(C)CCN(C(CN)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is CLZBDFDJSUEPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-17(3)7-9-20(10-8-17)16(12-19)14-6-5-13(2)15(18)11-14/h5-6,11,16H,4,7-10,12,19H2,1-3H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine?
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 106817408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).