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

C13H18BrNO — CID 62115258

IUPAC1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine
SMILESCC(N)C(OC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-9(15)13(16-12-3-2-4-12)10-5-7-11(14)8-6-10/h5-9,12-13H,2-4,15H2,1H3
InChIKeyGVQSLFLYJDUBQC-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.41
Rot. Bonds4

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

1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine (PubChem CID 62115258) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine
PubChem CID62115258
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine
SMILESCC(N)C(OC1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO/c1-9(15)13(16-12-3-2-4-12)10-5-7-11(14)8-6-10/h5-9,12-13H,2-4,15H2,1H3
InChIKeyGVQSLFLYJDUBQC-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-(4-chlorophenyl)-1-cyclohexyloxypropan-2-amine
CID 55015439
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 55015654
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
1-(3,4-dimethylcyclohexyl)oxy-1-(4-methoxyphenyl)propan-2-amine
CID 64746888
1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine (CID 62115258) is 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine is CC(N)C(OC1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine?
The InChIKey is GVQSLFLYJDUBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15)13(16-12-3-2-4-12)10-5-7-11(14)8-6-10/h5-9,12-13H,2-4,15H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine?
1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine has a molecular weight of 284.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine is sourced from PubChem (CID 62115258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).