[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine

C15H20BrNO — CID 117495123

IUPAC[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
SMILESNCC1(c2cc(Br)ccc2OC2CCC2)CCC1
InChIInChI=1S/C15H20BrNO/c16-11-5-6-14(18-12-3-1-4-12)13(9-11)15(10-17)7-2-8-15/h5-6,9,12H,1-4,7-8,10,17H2
InChIKeyLHXCCUNAVYTLLJ-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.76
Rot. Bonds4

About [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine

[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine (PubChem CID 117495123) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
PubChem CID117495123
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
SMILESNCC1(c2cc(Br)ccc2OC2CCC2)CCC1
InChIInChI=1S/C15H20BrNO/c16-11-5-6-14(18-12-3-1-4-12)13(9-11)15(10-17)7-2-8-15/h5-6,9,12H,1-4,7-8,10,17H2
InChIKeyLHXCCUNAVYTLLJ-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine
CID 117441675
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
CID 117460990
[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine
CID 114900857
[1-[2-(thietan-3-yloxy)phenyl]cyclopentyl]methanamine
CID 117413855
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine (CID 117495123) is [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine is NCC1(c2cc(Br)ccc2OC2CCC2)CCC1.
What is the InChIKey of [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine?
The InChIKey is LHXCCUNAVYTLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-11-5-6-14(18-12-3-1-4-12)13(9-11)15(10-17)7-2-8-15/h5-6,9,12H,1-4,7-8,10,17H2.
What are the key properties of [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine?
[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine has a molecular weight of 310.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117495123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).