4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline

C20H24ClN3 — CID 143111628

IUPAC4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1C1=CC(c2ccc(N(C)C)cc2)NCC1
InChIInChI=1S/C20H24ClN3/c1-22-19-9-6-16(21)13-18(19)15-10-11-23-20(12-15)14-4-7-17(8-5-14)24(2)3/h4-9,12-13,20,22-23H,10-11H2,1-3H3
InChIKeyBGJIDRLABPYQSZ-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.57
Rot. Bonds4

About 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline

4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline (PubChem CID 143111628) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline
PubChem CID143111628
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline
SMILESCNc1ccc(Cl)cc1C1=CC(c2ccc(N(C)C)cc2)NCC1
InChIInChI=1S/C20H24ClN3/c1-22-19-9-6-16(21)13-18(19)15-10-11-23-20(12-15)14-4-7-17(8-5-14)24(2)3/h4-9,12-13,20,22-23H,10-11H2,1-3H3
InChIKeyBGJIDRLABPYQSZ-UHFFFAOYSA-N
XLogP4.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline?
The IUPAC name of 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline (CID 143111628) is 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline.
What is the SMILES notation for 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline?
The canonical SMILES for 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline is CNc1ccc(Cl)cc1C1=CC(c2ccc(N(C)C)cc2)NCC1.
What is the InChIKey of 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline?
The InChIKey is BGJIDRLABPYQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-22-19-9-6-16(21)13-18(19)15-10-11-23-20(12-15)14-4-7-17(8-5-14)24(2)3/h4-9,12-13,20,22-23H,10-11H2,1-3H3.
What are the key properties of 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline?
4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline has a molecular weight of 341.89 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[6-[4-(dimethylamino)phenyl]-1,2,3,6-tetrahydropyridin-4-yl]-N-methylaniline is sourced from PubChem (CID 143111628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).