N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

C17H17BrFN — CID 61401388

IUPACN-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3cccc(Br)c3)C2)cc1
InChIInChI=1S/C17H17BrFN/c18-15-3-1-2-12(8-15)11-20-17-9-14(10-17)13-4-6-16(19)7-5-13/h1-8,14,17,20H,9-11H2
InChIKeyPFIMIKYCWOMMQK-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.62
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 61401388) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID61401388
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC NameN-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3cccc(Br)c3)C2)cc1
InChIInChI=1S/C17H17BrFN/c18-15-3-1-2-12(8-15)11-20-17-9-14(10-17)13-4-6-16(19)7-5-13/h1-8,14,17,20H,9-11H2
InChIKeyPFIMIKYCWOMMQK-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (CID 61401388) is N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCc3cccc(Br)c3)C2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is PFIMIKYCWOMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-15-3-1-2-12(8-15)11-20-17-9-14(10-17)13-4-6-16(19)7-5-13/h1-8,14,17,20H,9-11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 334.23 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 61401388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).