[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine

C15H22BrN — CID 117477395

IUPAC[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
SMILESCCC(CC)c1ccc(C2(CN)CC2)cc1Br
InChIInChI=1S/C15H22BrN/c1-3-11(4-2)13-6-5-12(9-14(13)16)15(10-17)7-8-15/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3
InChIKeyUBCAHBLYFPPLBD-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.34
Rot. Bonds5

About [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine

[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine (PubChem CID 117477395) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
PubChem CID117477395
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
SMILESCCC(CC)c1ccc(C2(CN)CC2)cc1Br
InChIInChI=1S/C15H22BrN/c1-3-11(4-2)13-6-5-12(9-14(13)16)15(10-17)7-8-15/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3
InChIKeyUBCAHBLYFPPLBD-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
CID 117455081
[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(3-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117310036
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpyrrolidine
CID 117495250
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
CID 117281667
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(3-bromo-1H-indol-6-yl)cyclopropyl]methanamine
CID 117416499
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine (CID 117477395) is [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine is CCC(CC)c1ccc(C2(CN)CC2)cc1Br.
What is the InChIKey of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
The InChIKey is UBCAHBLYFPPLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-11(4-2)13-6-5-12(9-14(13)16)15(10-17)7-8-15/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine?
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117477395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).