3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine

C18H28BrN — CID 102904692

IUPAC3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
SMILESCC(C)C(CNC1CC(c2ccccc2Br)C1)C(C)C
InChIInChI=1S/C18H28BrN/c1-12(2)17(13(3)4)11-20-15-9-14(10-15)16-7-5-6-8-18(16)19/h5-8,12-15,17,20H,9-11H2,1-4H3
InChIKeyUSNCNFAENSMSMK-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.21
Rot. Bonds6

About 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine (PubChem CID 102904692) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
PubChem CID102904692
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC Name3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
SMILESCC(C)C(CNC1CC(c2ccccc2Br)C1)C(C)C
InChIInChI=1S/C18H28BrN/c1-12(2)17(13(3)4)11-20-15-9-14(10-15)16-7-5-6-8-18(16)19/h5-8,12-15,17,20H,9-11H2,1-4H3
InChIKeyUSNCNFAENSMSMK-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N-propan-2-ylcyclobutan-1-amine
CID 43632648
3-[[3-(2-bromophenyl)cyclobutyl]amino]-2-hydroxypropanamide
CID 106172030
3-(2-bromophenyl)-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106181318
3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
CID 43632723
1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556
3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
CID 113478701
3-(2-bromophenyl)-N-(1-cyclopropylpropan-2-yl)cyclobutan-1-amine
CID 63989921
3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 64629588
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251
3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
CID 43634508
6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
CID 107849622
3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 43633182

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine (CID 102904692) is 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine is CC(C)C(CNC1CC(c2ccccc2Br)C1)C(C)C.
What is the InChIKey of 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine?
The InChIKey is USNCNFAENSMSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-12(2)17(13(3)4)11-20-15-9-14(10-15)16-7-5-6-8-18(16)19/h5-8,12-15,17,20H,9-11H2,1-4H3.
What are the key properties of 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 102904692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).