N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine

C14H22BrNO — CID 63059393

IUPACN-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)Oc1c(Br)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22BrNO/c1-10(2)17-13-11(7-6-8-12(13)15)9-16-14(3,4)5/h6-8,10,16H,9H2,1-5H3
InChIKeyVZUXNRZTWSYJFA-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.12
Rot. Bonds4

About N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63059393) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63059393
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)Oc1c(Br)cccc1CNC(C)(C)C
InChIInChI=1S/C14H22BrNO/c1-10(2)17-13-11(7-6-8-12(13)15)9-16-14(3,4)5/h6-8,10,16H,9H2,1-5H3
InChIKeyVZUXNRZTWSYJFA-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55192514
N-[[3-bromo-2-(2-ethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 82925959
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654
N-[[3-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983268
N-[[3-bromo-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114471631
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
N-[[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 116615095
N-[[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63059040
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 171396270
N-[[3-bromo-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63774723
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (CID 63059393) is N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is CC(C)Oc1c(Br)cccc1CNC(C)(C)C.
What is the InChIKey of N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is VZUXNRZTWSYJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10(2)17-13-11(7-6-8-12(13)15)9-16-14(3,4)5/h6-8,10,16H,9H2,1-5H3.
What are the key properties of N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63059393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).