3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine

C18H19Br2N — CID 81356335

IUPAC3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
SMILESC[C@H](NC1CC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H19Br2N/c1-12(13-2-6-16(19)7-3-13)21-18-10-15(11-18)14-4-8-17(20)9-5-14/h2-9,12,15,18,21H,10-11H2,1H3/t12-,15?,18?/m0/s1
InChIKeyCLIDIDJDRMEBCI-RTYYOJRZSA-N
MW409.17 g/mol
LogP5.81
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine (PubChem CID 81356335) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
PubChem CID81356335
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC Name3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
SMILESC[C@H](NC1CC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H19Br2N/c1-12(13-2-6-16(19)7-3-13)21-18-10-15(11-18)14-4-8-17(20)9-5-14/h2-9,12,15,18,21H,10-11H2,1H3/t12-,15?,18?/m0/s1
InChIKeyCLIDIDJDRMEBCI-RTYYOJRZSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
3-(4-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 107167617
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204
3-(4-bromophenyl)-N-[(1R)-1-cycloheptylethyl]cyclobutan-1-amine
CID 81390863
3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
CID 81384574
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine (CID 81356335) is 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine is C[C@H](NC1CC(c2ccc(Br)cc2)C1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is CLIDIDJDRMEBCI-RTYYOJRZSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-12(13-2-6-16(19)7-3-13)21-18-10-15(11-18)14-4-8-17(20)9-5-14/h2-9,12,15,18,21H,10-11H2,1H3/t12-,15?,18?/m0/s1.
What are the key properties of 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 409.17 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 81356335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).