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

C19H22BrN — CID 43680086

IUPACN-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)c2ccccc2Br)C1
InChIInChI=1S/C19H22BrN/c1-13-7-3-4-8-17(13)15-11-16(12-15)21-14(2)18-9-5-6-10-19(18)20/h3-10,14-16,21H,11-12H2,1-2H3
InChIKeyNJIQKCWBHZMLIA-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.35
Rot. Bonds4

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

N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43680086) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43680086
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)c2ccccc2Br)C1
InChIInChI=1S/C19H22BrN/c1-13-7-3-4-8-17(13)15-11-16(12-15)21-14(2)18-9-5-6-10-19(18)20/h3-10,14-16,21H,11-12H2,1-2H3
InChIKeyNJIQKCWBHZMLIA-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635534
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
3-(3-bromophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81355085
N-[(1S)-1-(2-bromophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658906
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (CID 43680086) is N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NC(C)c2ccccc2Br)C1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is NJIQKCWBHZMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13-7-3-4-8-17(13)15-11-16(12-15)21-14(2)18-9-5-6-10-19(18)20/h3-10,14-16,21H,11-12H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 344.30 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43680086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).