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

C18H19BrClN — CID 43634204

IUPAC3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Br)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C18H19BrClN/c1-12(17-4-2-3-5-18(17)20)21-16-10-14(11-16)13-6-8-15(19)9-7-13/h2-9,12,14,16,21H,10-11H2,1H3
InChIKeyBQAHUNVCTHCDRZ-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.70
Rot. Bonds4

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

3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine (PubChem CID 43634204) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
PubChem CID43634204
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Br)cc2)C1)c1ccccc1Cl
InChIInChI=1S/C18H19BrClN/c1-12(17-4-2-3-5-18(17)20)21-16-10-14(11-16)13-6-8-15(19)9-7-13/h2-9,12,14,16,21H,10-11H2,1H3
InChIKeyBQAHUNVCTHCDRZ-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.70
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
3-(4-bromophenyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 81356335
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81355085
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585198
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine (CID 43634204) is 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine is CC(NC1CC(c2ccc(Br)cc2)C1)c1ccccc1Cl.
What is the InChIKey of 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine?
The InChIKey is BQAHUNVCTHCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12(17-4-2-3-5-18(17)20)21-16-10-14(11-16)13-6-8-15(19)9-7-13/h2-9,12,14,16,21H,10-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine has a molecular weight of 364.71 g/mol, XLogP of 5.70, 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-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43634204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).