(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C24H24FN — CID 166638679

IUPAC(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@H]1Cc2ccccc2[C@@H](c2cccc(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C24H24FN/c1-26(2)22-15-20-7-3-4-12-23(20)24(16-22)19-10-5-8-17(13-19)18-9-6-11-21(25)14-18/h3-14,22,24H,15-16H2,1-2H3/t22-,24+/m0/s1
InChIKeyGQDIAXARFJUVLN-LADGPHEKSA-N
MW345.46 g/mol
LogP5.50
Rot. Bonds3

About (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 166638679) has the molecular formula C24H24FN and a molecular weight of 345.46 g/mol. Its IUPAC name is (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID166638679
Molecular FormulaC24H24FN
Molecular Weight345.46 g/mol
Exact Mass345.19
IUPAC Name(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)[C@H]1Cc2ccccc2[C@@H](c2cccc(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C24H24FN/c1-26(2)22-15-20-7-3-4-12-23(20)24(16-22)19-10-5-8-17(13-19)18-9-6-11-21(25)14-18/h3-14,22,24H,15-16H2,1-2H3/t22-,24+/m0/s1
InChIKeyGQDIAXARFJUVLN-LADGPHEKSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 166638679) is (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)[C@H]1Cc2ccccc2[C@@H](c2cccc(-c3cccc(F)c3)c2)C1.
What is the InChIKey of (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is GQDIAXARFJUVLN-LADGPHEKSA-N. The full InChI is InChI=1S/C24H24FN/c1-26(2)22-15-20-7-3-4-12-23(20)24(16-22)19-10-5-8-17(13-19)18-9-6-11-21(25)14-18/h3-14,22,24H,15-16H2,1-2H3/t22-,24+/m0/s1.
What are the key properties of (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 345.46 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[3-(3-fluorophenyl)phenyl]-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 166638679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).