N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C15H22BrN — CID 55091756

IUPACN-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H22BrN/c1-14(2,3)17-11-15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyFLSWVAMEAUXGAO-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.26
Rot. Bonds3

About N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 55091756) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID55091756
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H22BrN/c1-14(2,3)17-11-15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyFLSWVAMEAUXGAO-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-bromophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 65009342
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(4-bromophenyl)-3-tert-butylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 65014922
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62903683
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195
1-[1-(4-bromophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 115049926
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918030
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 55091756) is N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FLSWVAMEAUXGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-14(2,3)17-11-15(9-4-10-15)12-5-7-13(16)8-6-12/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.25 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55091756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).