N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline

C15H23FN2 — CID 81170812

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline
SMILESCCN(CCC1(CN)CCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-2-18(14-7-4-3-6-13(14)16)11-10-15(12-17)8-5-9-15/h3-4,6-7H,2,5,8-12,17H2,1H3
InChIKeyOHNAYHGHGHZHRM-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline (PubChem CID 81170812) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline
PubChem CID81170812
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline
SMILESCCN(CCC1(CN)CCC1)c1ccccc1F
InChIInChI=1S/C15H23FN2/c1-2-18(14-7-4-3-6-13(14)16)11-10-15(12-17)8-5-9-15/h3-4,6-7H,2,5,8-12,17H2,1H3
InChIKeyOHNAYHGHGHZHRM-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline (CID 81170812) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline is CCN(CCC1(CN)CCC1)c1ccccc1F.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline?
The InChIKey is OHNAYHGHGHZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-18(14-7-4-3-6-13(14)16)11-10-15(12-17)8-5-9-15/h3-4,6-7H,2,5,8-12,17H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 81170812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).