N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine

C15H24BrNO — CID 55192516

IUPACN-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)Oc1c(Br)cccc1CNCC(C)C
InChIInChI=1S/C15H24BrNO/c1-5-12(4)18-15-13(7-6-8-14(15)16)10-17-9-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyDSODUZXATWCRMF-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.37
Rot. Bonds7

About N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 55192516) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID55192516
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)Oc1c(Br)cccc1CNCC(C)C
InChIInChI=1S/C15H24BrNO/c1-5-12(4)18-15-13(7-6-8-14(15)16)10-17-9-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyDSODUZXATWCRMF-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487238
N-[[3-bromo-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 81105537
1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63058872
N-[[3-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473394
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654
N-[[3-bromo-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 64553120
N-[[3-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058696
N-[[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 116615096
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
N-[[3-bromo-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 82867089
3-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one
CID 63059581
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 39355527

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine (CID 55192516) is N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine is CCC(C)Oc1c(Br)cccc1CNCC(C)C.
What is the InChIKey of N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is DSODUZXATWCRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-5-12(4)18-15-13(7-6-8-14(15)16)10-17-9-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3.
What are the key properties of N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-butan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55192516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).