N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine

C18H21NS — CID 103087166

IUPACN-(4-methylsulfanylbutyl)-9H-fluoren-2-amine
SMILESCSCCCCNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H21NS/c1-20-11-5-4-10-19-16-8-9-18-15(13-16)12-14-6-2-3-7-17(14)18/h2-3,6-9,13,19H,4-5,10-12H2,1H3
InChIKeyHAHRJBFRUHQYAB-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.81
Rot. Bonds6

About N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine

N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine (PubChem CID 103087166) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-9H-fluoren-2-amine
PubChem CID103087166
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(4-methylsulfanylbutyl)-9H-fluoren-2-amine
SMILESCSCCCCNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H21NS/c1-20-11-5-4-10-19-16-8-9-18-15(13-16)12-14-6-2-3-7-17(14)18/h2-3,6-9,13,19H,4-5,10-12H2,1H3
InChIKeyHAHRJBFRUHQYAB-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-9H-fluoren-2-amine
CID 65176692
N'-(9H-fluoren-2-yl)-N-[[3-[[4-(9H-fluoren-2-ylamino)butylamino]methyl]phenyl]methyl]butane-1,4-diamine
CID 170909075
N-pent-3-ynyl-9H-fluoren-2-amine
CID 104805976
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
CID 106931773
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379
N-pentan-3-yl-9H-fluoren-2-amine
CID 28555753
N-(cyclopentylmethyl)-9H-fluoren-2-amine
CID 63419501
N-(cyclobutylmethyl)-9H-fluoren-2-amine
CID 65458719
2-(9H-fluoren-2-ylamino)-N-propylacetamide
CID 28574289
N-[(3-methoxyphenyl)methyl]-9H-fluoren-2-amine
CID 22663951

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine (CID 103087166) is N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine is CSCCCCNc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine?
The InChIKey is HAHRJBFRUHQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-20-11-5-4-10-19-16-8-9-18-15(13-16)12-14-6-2-3-7-17(14)18/h2-3,6-9,13,19H,4-5,10-12H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine?
N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine has a molecular weight of 283.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine is sourced from PubChem (CID 103087166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).