N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine

C17H27ClN2 — CID 81377394

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(C)N[C@H](C)c2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-4-20-11-9-15(10-12-20)13(2)19-14(3)16-7-5-6-8-17(16)18/h5-8,13-15,19H,4,9-12H2,1-3H3/t13?,14-/m1/s1
InChIKeyTUEVSTDLEQXOQM-ARLHGKGLSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 81377394) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID81377394
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCN1CCC(C(C)N[C@H](C)c2ccccc2Cl)CC1
InChIInChI=1S/C17H27ClN2/c1-4-20-11-9-15(10-12-20)13(2)19-14(3)16-7-5-6-8-17(16)18/h5-8,13-15,19H,4,9-12H2,1-3H3/t13?,14-/m1/s1
InChIKeyTUEVSTDLEQXOQM-ARLHGKGLSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624
2,6-dichloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]aniline
CID 65469902
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
CID 43692381
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine (CID 81377394) is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine is CCN1CCC(C(C)N[C@H](C)c2ccccc2Cl)CC1.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is TUEVSTDLEQXOQM-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-20-11-9-15(10-12-20)13(2)19-14(3)16-7-5-6-8-17(16)18/h5-8,13-15,19H,4,9-12H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 81377394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).