7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine

C20H24ClN — CID 57145390

IUPAC7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine
SMILESCCN(CCC(C)C)c1ccc2c(c1)-c1ccc(Cl)cc1C2
InChIInChI=1S/C20H24ClN/c1-4-22(10-9-14(2)3)18-7-5-15-11-16-12-17(21)6-8-19(16)20(15)13-18/h5-8,12-14H,4,9-11H2,1-3H3
InChIKeyMFXIKEHVKYCEPZ-UHFFFAOYSA-N
MW313.87 g/mol
LogP5.78
Rot. Bonds5

About 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine

7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine (PubChem CID 57145390) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine.

Molecular Properties

Compound Name7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine
PubChem CID57145390
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine
SMILESCCN(CCC(C)C)c1ccc2c(c1)-c1ccc(Cl)cc1C2
InChIInChI=1S/C20H24ClN/c1-4-22(10-9-14(2)3)18-7-5-15-11-16-12-17(21)6-8-19(16)20(15)13-18/h5-8,12-14H,4,9-11H2,1-3H3
InChIKeyMFXIKEHVKYCEPZ-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine?
The IUPAC name of 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine (CID 57145390) is 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine.
What is the SMILES notation for 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine?
The canonical SMILES for 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine is CCN(CCC(C)C)c1ccc2c(c1)-c1ccc(Cl)cc1C2.
What is the InChIKey of 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine?
The InChIKey is MFXIKEHVKYCEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN/c1-4-22(10-9-14(2)3)18-7-5-15-11-16-12-17(21)6-8-19(16)20(15)13-18/h5-8,12-14H,4,9-11H2,1-3H3.
What are the key properties of 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine?
7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine has a molecular weight of 313.87 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-N-(3-methylbutyl)-9H-fluoren-3-amine is sourced from PubChem (CID 57145390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).