1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine

C14H20BrNO — CID 62115253

IUPAC1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
SMILESCCC(N)C(OC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-2-13(16)14(17-12-4-3-5-12)10-6-8-11(15)9-7-10/h6-9,12-14H,2-5,16H2,1H3
InChIKeyOLQWTSSOTLBULJ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.80
Rot. Bonds5

About 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine

1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine (PubChem CID 62115253) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
PubChem CID62115253
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
SMILESCCC(N)C(OC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-2-13(16)14(17-12-4-3-5-12)10-6-8-11(15)9-7-10/h6-9,12-14H,2-5,16H2,1H3
InChIKeyOLQWTSSOTLBULJ-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine
CID 62115258
1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
CID 63461230
1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
CID 55014714
1-cyclobutyloxy-1-thiophen-3-ylbutan-2-amine
CID 62116806
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 55015557
1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
1-(2-ethylcyclohexyl)oxy-1-(4-fluorophenyl)butan-2-amine
CID 63457116
2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 55015654
1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
CID 103486933

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine (CID 62115253) is 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine is CCC(N)C(OC1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine?
The InChIKey is OLQWTSSOTLBULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-13(16)14(17-12-4-3-5-12)10-6-8-11(15)9-7-10/h6-9,12-14H,2-5,16H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine?
1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine is sourced from PubChem (CID 62115253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).