1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine

C15H20BrNO — CID 117495005

IUPAC1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(OC3CCC3)c(Br)c2)CCCC1
InChIInChI=1S/C15H20BrNO/c16-13-10-11(15(17)8-1-2-9-15)6-7-14(13)18-12-4-3-5-12/h6-7,10,12H,1-5,8-9,17H2
InChIKeyMLBFWCWOUZRBDK-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine

1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine (PubChem CID 117495005) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine
PubChem CID117495005
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(OC3CCC3)c(Br)c2)CCCC1
InChIInChI=1S/C15H20BrNO/c16-13-10-11(15(17)8-1-2-9-15)6-7-14(13)18-12-4-3-5-12/h6-7,10,12H,1-5,8-9,17H2
InChIKeyMLBFWCWOUZRBDK-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
3-bromo-4-cyclopentyloxyphenol
CID 68761541
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117448437
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
CID 117489868
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]cyclopentan-1-amine
CID 117496257
(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine (CID 117495005) is 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine is NC1(c2ccc(OC3CCC3)c(Br)c2)CCCC1.
What is the InChIKey of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine?
The InChIKey is MLBFWCWOUZRBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-10-11(15(17)8-1-2-9-15)6-7-14(13)18-12-4-3-5-12/h6-7,10,12H,1-5,8-9,17H2.
What are the key properties of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine?
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine has a molecular weight of 310.23 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117495005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).