N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine

C16H22FNO — CID 66579728

IUPACN-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine
SMILESCN(c1ccc(F)cc1)C1CCOC2CCCCC21
InChIInChI=1S/C16H22FNO/c1-18(13-8-6-12(17)7-9-13)15-10-11-19-16-5-3-2-4-14(15)16/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyXZRLZMIJLGJFQU-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.61
Rot. Bonds2

About N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine

N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine (PubChem CID 66579728) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine
PubChem CID66579728
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine
SMILESCN(c1ccc(F)cc1)C1CCOC2CCCCC21
InChIInChI=1S/C16H22FNO/c1-18(13-8-6-12(17)7-9-13)15-10-11-19-16-5-3-2-4-14(15)16/h6-9,14-16H,2-5,10-11H2,1H3
InChIKeyXZRLZMIJLGJFQU-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-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 N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine (CID 66579728) is N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine is CN(c1ccc(F)cc1)C1CCOC2CCCCC21.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine?
The InChIKey is XZRLZMIJLGJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18(13-8-6-12(17)7-9-13)15-10-11-19-16-5-3-2-4-14(15)16/h6-9,14-16H,2-5,10-11H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine?
N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine is sourced from PubChem (CID 66579728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).