2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine

C16H16ClN — CID 82579088

IUPAC2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine
SMILESCc1cccc2c1-c1ccc(Cl)cc1C2CCN
InChIInChI=1S/C16H16ClN/c1-10-3-2-4-13-12(7-8-18)15-9-11(17)5-6-14(15)16(10)13/h2-6,9,12H,7-8,18H2,1H3
InChIKeyGDQAXGOXZXGSQF-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.11
Rot. Bonds2

About 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine

2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine (PubChem CID 82579088) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine
PubChem CID82579088
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine
SMILESCc1cccc2c1-c1ccc(Cl)cc1C2CCN
InChIInChI=1S/C16H16ClN/c1-10-3-2-4-13-12(7-8-18)15-9-11(17)5-6-14(15)16(10)13/h2-6,9,12H,7-8,18H2,1H3
InChIKeyGDQAXGOXZXGSQF-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine (CID 82579088) is 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine is Cc1cccc2c1-c1ccc(Cl)cc1C2CCN.
What is the InChIKey of 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine?
The InChIKey is GDQAXGOXZXGSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-10-3-2-4-13-12(7-8-18)15-9-11(17)5-6-14(15)16(10)13/h2-6,9,12H,7-8,18H2,1H3.
What are the key properties of 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine?
2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine has a molecular weight of 257.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methyl-9H-fluoren-9-yl)ethanamine is sourced from PubChem (CID 82579088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).