3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine

C16H22BrN — CID 63989921

IUPAC3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CC1CC1)NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H22BrN/c1-11(8-12-6-7-12)18-14-9-13(10-14)15-4-2-3-5-16(15)17/h2-5,11-14,18H,6-10H2,1H3
InChIKeyROSVZWNTJQYPGY-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.47
Rot. Bonds5

About 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine (PubChem CID 63989921) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
PubChem CID63989921
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CC1CC1)NC1CC(c2ccccc2Br)C1
InChIInChI=1S/C16H22BrN/c1-11(8-12-6-7-12)18-14-9-13(10-14)15-4-2-3-5-16(15)17/h2-5,11-14,18H,6-10H2,1H3
InChIKeyROSVZWNTJQYPGY-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 63987431
3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 64629588
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
CID 102904692
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 106121067
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine (CID 63989921) is 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine is CC(CC1CC1)NC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is ROSVZWNTJQYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-11(8-12-6-7-12)18-14-9-13(10-14)15-4-2-3-5-16(15)17/h2-5,11-14,18H,6-10H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine has a molecular weight of 308.26 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 63989921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).