N-(thian-2-ylmethyl)-9H-fluoren-9-amine

C19H21NS — CID 80595574

IUPACN-(thian-2-ylmethyl)-9H-fluoren-9-amine
SMILESc1ccc2c(c1)-c1ccccc1C2NCC1CCCCS1
InChIInChI=1S/C19H21NS/c1-3-10-17-15(8-1)16-9-2-4-11-18(16)19(17)20-13-14-7-5-6-12-21-14/h1-4,8-11,14,19-20H,5-7,12-13H2
InChIKeyGVFNHQXWGKUTOY-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.63
Rot. Bonds3

About N-(thian-2-ylmethyl)-9H-fluoren-9-amine

N-(thian-2-ylmethyl)-9H-fluoren-9-amine (PubChem CID 80595574) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(thian-2-ylmethyl)-9H-fluoren-9-amine.

Molecular Properties

Compound NameN-(thian-2-ylmethyl)-9H-fluoren-9-amine
PubChem CID80595574
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-(thian-2-ylmethyl)-9H-fluoren-9-amine
SMILESc1ccc2c(c1)-c1ccccc1C2NCC1CCCCS1
InChIInChI=1S/C19H21NS/c1-3-10-17-15(8-1)16-9-2-4-11-18(16)19(17)20-13-14-7-5-6-12-21-14/h1-4,8-11,14,19-20H,5-7,12-13H2
InChIKeyGVFNHQXWGKUTOY-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-Fluoren-9-yl)piperazine
CID 410205
4-[2-(3-methylphenyl)ethylsulfanyl]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 164618032
(4aS,5R,9bS)-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 44358388
N-methyl-3-phenyl-indan-1-amine;hydrochloride
CID 45260274
N-(1-phenylethyl)-9H-fluoren-9-amine
CID 4782290
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-, (4a-alpha,5-beta,9b-alpha)-
CID 38055
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(2-fluorophenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 44358171
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-fluorophenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 44358186
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(2-methylphenyl)-, (4a-alpha,5-alpha,9b-alpha)-
CID 44358269
4-benzylsulfanyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 145953575
4-[2-(4-methylphenyl)ethylsulfanyl]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 164611180
1,3-Dihydro-3-phenylspiro[benzo(c)thiophene-1,4'-piperidine]
CID 12694098

Frequently Asked Questions

What is the IUPAC name of N-(thian-2-ylmethyl)-9H-fluoren-9-amine?
The IUPAC name of N-(thian-2-ylmethyl)-9H-fluoren-9-amine (CID 80595574) is N-(thian-2-ylmethyl)-9H-fluoren-9-amine.
What is the SMILES notation for N-(thian-2-ylmethyl)-9H-fluoren-9-amine?
The canonical SMILES for N-(thian-2-ylmethyl)-9H-fluoren-9-amine is c1ccc2c(c1)-c1ccccc1C2NCC1CCCCS1.
What is the InChIKey of N-(thian-2-ylmethyl)-9H-fluoren-9-amine?
The InChIKey is GVFNHQXWGKUTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-3-10-17-15(8-1)16-9-2-4-11-18(16)19(17)20-13-14-7-5-6-12-21-14/h1-4,8-11,14,19-20H,5-7,12-13H2.
What are the key properties of N-(thian-2-ylmethyl)-9H-fluoren-9-amine?
N-(thian-2-ylmethyl)-9H-fluoren-9-amine has a molecular weight of 295.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-2-ylmethyl)-9H-fluoren-9-amine is sourced from PubChem (CID 80595574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).