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

C16H22FNO — CID 123591526

IUPACN-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine
SMILESCC12CCCOC1CCCC2Nc1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-16-10-3-11-19-15(16)5-2-4-14(16)18-13-8-6-12(17)7-9-13/h6-9,14-15,18H,2-5,10-11H2,1H3
InChIKeyVEJOENVYERLCGE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.98
Rot. Bonds2

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

N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine (PubChem CID 123591526) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine
PubChem CID123591526
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine
SMILESCC12CCCOC1CCCC2Nc1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-16-10-3-11-19-15(16)5-2-4-14(16)18-13-8-6-12(17)7-9-13/h6-9,14-15,18H,2-5,10-11H2,1H3
InChIKeyVEJOENVYERLCGE-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
1-N,4-N-bis(oxolan-2-yl)benzene-1,4-diamine
CID 70173345
5-[(2,2-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 79835897
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
4-(difluoromethoxy)-N-(2,2-dimethylcyclohexyl)aniline
CID 79828523
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]methanesulfonamide
CID 79860490
N-(4-fluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700737
N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79859591
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine?
The IUPAC name of N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine (CID 123591526) is N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine is CC12CCCOC1CCCC2Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine?
The InChIKey is VEJOENVYERLCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-16-10-3-11-19-15(16)5-2-4-14(16)18-13-8-6-12(17)7-9-13/h6-9,14-15,18H,2-5,10-11H2,1H3.
What are the key properties of N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine?
N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine has a molecular weight of 263.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4a-methyl-2,3,4,5,6,7,8,8a-octahydrochromen-5-amine is sourced from PubChem (CID 123591526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).