1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

C14H22BrNO — CID 55015557

IUPAC1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCC(N)C(OC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-5-12(16)13(17-14(2,3)4)10-6-8-11(15)9-7-10/h6-9,12-13H,5,16H2,1-4H3
InChIKeyNRRWYRGPUFWJOZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine

1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 55015557) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID55015557
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCCC(N)C(OC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-5-12(16)13(17-14(2,3)4)10-6-8-11(15)9-7-10/h6-9,12-13H,5,16H2,1-4H3
InChIKeyNRRWYRGPUFWJOZ-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-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-(2-methylpropoxy)butan-2-amine
CID 55015797
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-(4-bromophenyl)-1-(1-ethoxypropan-2-yloxy)butan-2-amine
CID 103486933
1-(4-bromophenyl)-1-(3,5-difluorophenoxy)butan-2-amine
CID 62784834
1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
CID 63460276
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
CID 63460497
[(1S)-1-(4-bromophenyl)propyl]azanium
CID 7127716
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
tert-butyl 2-[2-amino-1-(4-bromophenyl)butyl]sulfanylacetate
CID 116686938
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 55015557) is 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine is CCC(N)C(OC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is NRRWYRGPUFWJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-12(16)13(17-14(2,3)4)10-6-8-11(15)9-7-10/h6-9,12-13H,5,16H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine?
1-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 4.04, 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-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 55015557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).