N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C16H22FN — CID 116530842

IUPACN-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NCC1CCCCC1
InChIInChI=1S/C16H22FN/c17-14-7-8-15-13(10-14)6-9-16(15)18-11-12-4-2-1-3-5-12/h7-8,10,12,16,18H,1-6,9,11H2
InChIKeyICYSGJCUEBNRFL-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.98
Rot. Bonds3

About N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 116530842) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID116530842
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2NCC1CCCCC1
InChIInChI=1S/C16H22FN/c17-14-7-8-15-13(10-14)6-9-16(15)18-11-12-4-2-1-3-5-12/h7-8,10,12,16,18H,1-6,9,11H2
InChIKeyICYSGJCUEBNRFL-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708242
5-fluoro-N-(thiolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115727687
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115718703
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107386305
1-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 115708917
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 116530842) is N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ICYSGJCUEBNRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-14-7-8-15-13(10-14)6-9-16(15)18-11-12-4-2-1-3-5-12/h7-8,10,12,16,18H,1-6,9,11H2.
What are the key properties of N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116530842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).