1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine

C16H22FN — CID 116531949

IUPAC1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(CC2CCCCC2)CCc2cc(F)ccc21
InChIInChI=1S/C16H22FN/c17-14-6-7-15-13(10-14)8-9-16(15,18)11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11,18H2
InChIKeyBUAMBJGNSYUPNO-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.90
Rot. Bonds2

About 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine

1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116531949) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116531949
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(CC2CCCCC2)CCc2cc(F)ccc21
InChIInChI=1S/C16H22FN/c17-14-6-7-15-13(10-14)8-9-16(15,18)11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11,18H2
InChIKeyBUAMBJGNSYUPNO-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407550
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321
1-[(3-chlorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-amine
CID 116532021
5-fluoro-1-(pyridin-2-ylmethyl)-2,3-dihydroinden-1-amine
CID 116532007
1-(3,4-dimethylcyclohexyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116532004
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
CID 116531885
1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531236
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-fluoro-2,3-dihydroinden-1-amine
CID 116532032
(1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057911
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
5-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-amine
CID 116532005
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine (CID 116531949) is 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine is NC1(CC2CCCCC2)CCc2cc(F)ccc21.
What is the InChIKey of 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is BUAMBJGNSYUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-14-6-7-15-13(10-14)8-9-16(15,18)11-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11,18H2.
What are the key properties of 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine?
1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).