N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine

C15H22BrNO2 — CID 63556383

IUPACN-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(Br)c1OC1CCOC1
InChIInChI=1S/C15H22BrNO2/c1-15(2,3)17-9-11-5-4-6-13(16)14(11)19-12-7-8-18-10-12/h4-6,12,17H,7-10H2,1-3H3
InChIKeyBDHMWKLTXJWYLX-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.50
Rot. Bonds4

About N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63556383) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63556383
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(Br)c1OC1CCOC1
InChIInChI=1S/C15H22BrNO2/c1-15(2,3)17-9-11-5-4-6-13(16)14(11)19-12-7-8-18-10-12/h4-6,12,17H,7-10H2,1-3H3
InChIKeyBDHMWKLTXJWYLX-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-2-(oxan-3-yloxy)phenyl]methyl]ethanamine
CID 107134326
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
[3-bromo-2-(oxan-3-yloxy)phenyl]methanamine
CID 107134325
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056604
N-[[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 61390366
2-methyl-N-[[5-(oxolan-3-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382130
1-[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64739555
N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63557933
[3-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79899075

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63556383) is N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(Br)c1OC1CCOC1.
What is the InChIKey of N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BDHMWKLTXJWYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,3)17-9-11-5-4-6-13(16)14(11)19-12-7-8-18-10-12/h4-6,12,17H,7-10H2,1-3H3.
What are the key properties of N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63556383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).