3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine

C17H16BrF2N — CID 62223797

IUPAC3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
SMILESFc1ccc(CNC2CC(c3cccc(Br)c3)C2)c(F)c1
InChIInChI=1S/C17H16BrF2N/c18-14-3-1-2-11(6-14)13-7-16(8-13)21-10-12-4-5-15(19)9-17(12)20/h1-6,9,13,16,21H,7-8,10H2
InChIKeyMPJYVHCNZAKRHQ-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.76
Rot. Bonds4

About 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine (PubChem CID 62223797) has the molecular formula C17H16BrF2N and a molecular weight of 352.22 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
PubChem CID62223797
Molecular FormulaC17H16BrF2N
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
SMILESFc1ccc(CNC2CC(c3cccc(Br)c3)C2)c(F)c1
InChIInChI=1S/C17H16BrF2N/c18-14-3-1-2-11(6-14)13-7-16(8-13)21-10-12-4-5-15(19)9-17(12)20/h1-6,9,13,16,21H,7-8,10H2
InChIKeyMPJYVHCNZAKRHQ-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
N-[3-(3-bromophenyl)cyclobutyl]-2,6-dichloro-4-fluoroaniline
CID 83078045
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022
3-(3-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989351
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
3-[[3-(3-bromophenyl)cyclobutyl]amino]-1,1-difluoropropan-2-ol
CID 106704265

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine (CID 62223797) is 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine is Fc1ccc(CNC2CC(c3cccc(Br)c3)C2)c(F)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is MPJYVHCNZAKRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N/c18-14-3-1-2-11(6-14)13-7-16(8-13)21-10-12-4-5-15(19)9-17(12)20/h1-6,9,13,16,21H,7-8,10H2.
What are the key properties of 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 352.22 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 62223797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).