N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

C13H17ClN2 — CID 81352766

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESC[C@@H](NC1=NCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2/c1-10(11-5-7-12(14)8-6-11)16-13-4-2-3-9-15-13/h5-8,10H,2-4,9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDGBWSZHDGHBIDP-SNVBAGLBSA-N
MW236.75 g/mol
LogP3.57
Rot. Bonds2

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 81352766) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID81352766
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
SMILESC[C@@H](NC1=NCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2/c1-10(11-5-7-12(14)8-6-11)16-13-4-2-3-9-15-13/h5-8,10H,2-4,9H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDGBWSZHDGHBIDP-SNVBAGLBSA-N
XLogP3.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine (CID 81352766) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is C[C@@H](NC1=NCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is DGBWSZHDGHBIDP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-10(11-5-7-12(14)8-6-11)16-13-4-2-3-9-15-13/h5-8,10H,2-4,9H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 236.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 81352766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).