N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine

C17H16Br2FN — CID 63455619

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
SMILESFc1ccc(Br)cc1CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H16Br2FN/c18-14-3-1-11(2-4-14)12-8-16(9-12)21-10-13-7-15(19)5-6-17(13)20/h1-7,12,16,21H,8-10H2
InChIKeyADKRRIQRBCFLKR-UHFFFAOYSA-N
MW413.13 g/mol
LogP5.39
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine

N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine (PubChem CID 63455619) has the molecular formula C17H16Br2FN and a molecular weight of 413.13 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
PubChem CID63455619
Molecular FormulaC17H16Br2FN
Molecular Weight413.13 g/mol
Exact Mass410.96
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
SMILESFc1ccc(Br)cc1CNC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H16Br2FN/c18-14-3-1-11(2-4-14)12-8-16(9-12)21-10-13-7-15(19)5-6-17(13)20/h1-7,12,16,21H,8-10H2
InChIKeyADKRRIQRBCFLKR-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.13
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-oxothian-4-amine
CID 54981395
N-[(5-bromo-2-fluorophenyl)methyl]-5-methylthiolan-3-amine
CID 79949958
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690319
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 62223797
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine (CID 63455619) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine is Fc1ccc(Br)cc1CNC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine?
The InChIKey is ADKRRIQRBCFLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2FN/c18-14-3-1-11(2-4-14)12-8-16(9-12)21-10-13-7-15(19)5-6-17(13)20/h1-7,12,16,21H,8-10H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine has a molecular weight of 413.13 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine is sourced from PubChem (CID 63455619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).