3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine

C18H19BrClN — CID 43634135

IUPAC3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
SMILESClc1ccc(CCNC2CC(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C18H19BrClN/c19-16-5-3-14(4-6-16)15-11-18(12-15)21-10-9-13-1-7-17(20)8-2-13/h1-8,15,18,21H,9-12H2
InChIKeyJLBMBAWQAYHNBY-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.18
Rot. Bonds5

About 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine (PubChem CID 43634135) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
PubChem CID43634135
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
SMILESClc1ccc(CCNC2CC(c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C18H19BrClN/c19-16-5-3-14(4-6-16)15-11-18(12-15)21-10-9-13-1-7-17(20)8-2-13/h1-8,15,18,21H,9-12H2
InChIKeyJLBMBAWQAYHNBY-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
N'-[3-(4-bromophenyl)cyclobutyl]butane-1,4-diamine
CID 60895622
3-[[3-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 43634672
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
6-bromo-N-[2-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625332
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine (CID 43634135) is 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine is Clc1ccc(CCNC2CC(c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is JLBMBAWQAYHNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c19-16-5-3-14(4-6-16)15-11-18(12-15)21-10-9-13-1-7-17(20)8-2-13/h1-8,15,18,21H,9-12H2.
What are the key properties of 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 364.71 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43634135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).