N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline

C11H15BrN2 — CID 79521267

IUPACN-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
SMILESNCC1(Nc2ccc(Br)cc2)CCC1
InChIInChI=1S/C11H15BrN2/c12-9-2-4-10(5-3-9)14-11(8-13)6-1-7-11/h2-5,14H,1,6-8,13H2
InChIKeyIHTGFFLMILSQKS-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline

N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline (PubChem CID 79521267) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
PubChem CID79521267
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
SMILESNCC1(Nc2ccc(Br)cc2)CCC1
InChIInChI=1S/C11H15BrN2/c12-9-2-4-10(5-3-9)14-11(8-13)6-1-7-11/h2-5,14H,1,6-8,13H2
InChIKeyIHTGFFLMILSQKS-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline (CID 79521267) is N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline is NCC1(Nc2ccc(Br)cc2)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline?
The InChIKey is IHTGFFLMILSQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-9-2-4-10(5-3-9)14-11(8-13)6-1-7-11/h2-5,14H,1,6-8,13H2.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline?
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline has a molecular weight of 255.16 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline is sourced from PubChem (CID 79521267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).