1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine

C18H21NS — CID 64634231

IUPAC1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H21NS/c1-12(2)20-11-18(19)14-7-8-17-15(10-14)9-13-5-3-4-6-16(13)17/h3-8,10,12,18H,9,11,19H2,1-2H3
InChIKeyMJPVVAUWMZKQRV-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.40
Rot. Bonds4

About 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine

1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 64634231) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID64634231
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H21NS/c1-12(2)20-11-18(19)14-7-8-17-15(10-14)9-13-5-3-4-6-16(13)17/h3-8,10,12,18H,9,11,19H2,1-2H3
InChIKeyMJPVVAUWMZKQRV-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine (CID 64634231) is 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine is CC(C)SCC(N)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is MJPVVAUWMZKQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-12(2)20-11-18(19)14-7-8-17-15(10-14)9-13-5-3-4-6-16(13)17/h3-8,10,12,18H,9,11,19H2,1-2H3.
What are the key properties of 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine?
1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 283.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 64634231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).