(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine

C10H16F2N2 — CID 146374112

IUPAC(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine
SMILESC[C@@H]1CC(F)C2C=C(F)[C@H](N)NC2C1
InChIInChI=1S/C10H16F2N2/c1-5-2-7(11)6-4-8(12)10(13)14-9(6)3-5/h4-7,9-10,14H,2-3,13H2,1H3/t5-,6?,7?,9?,10-/m1/s1
InChIKeyYHQBOOPTLPYUGO-JPGAOFRCSA-N
MW202.25 g/mol
LogP1.48
Rot. Bonds

About (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine

(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine (PubChem CID 146374112) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine.

Molecular Properties

Compound Name(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine
PubChem CID146374112
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine
SMILESC[C@@H]1CC(F)C2C=C(F)[C@H](N)NC2C1
InChIInChI=1S/C10H16F2N2/c1-5-2-7(11)6-4-8(12)10(13)14-9(6)3-5/h4-7,9-10,14H,2-3,13H2,1H3/t5-,6?,7?,9?,10-/m1/s1
InChIKeyYHQBOOPTLPYUGO-JPGAOFRCSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
The IUPAC name of (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine (CID 146374112) is (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine.
What is the SMILES notation for (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
The canonical SMILES for (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine is C[C@@H]1CC(F)C2C=C(F)[C@H](N)NC2C1.
What is the InChIKey of (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
The InChIKey is YHQBOOPTLPYUGO-JPGAOFRCSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-5-2-7(11)6-4-8(12)10(13)14-9(6)3-5/h4-7,9-10,14H,2-3,13H2,1H3/t5-,6?,7?,9?,10-/m1/s1.
What are the key properties of (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine?
(2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine has a molecular weight of 202.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-3,5-difluoro-7-methyl-1,2,4a,5,6,7,8,8a-octahydroquinolin-2-amine is sourced from PubChem (CID 146374112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).