N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine

C17H26BrNO2 — CID 63501385

IUPACN-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Br)COc1cc(OCCC)ccc1CNC(C)(C)C
InChIInChI=1S/C17H26BrNO2/c1-6-9-20-15-8-7-14(11-19-17(3,4)5)16(10-15)21-12-13(2)18/h7-8,10,19H,2,6,9,11-12H2,1,3-5H3
InChIKeyQFXUJFURSBCVOI-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.65
Rot. Bonds8

About N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63501385) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
PubChem CID63501385
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC NameN-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine
SMILESC=C(Br)COc1cc(OCCC)ccc1CNC(C)(C)C
InChIInChI=1S/C17H26BrNO2/c1-6-9-20-15-8-7-14(11-19-17(3,4)5)16(10-15)21-12-13(2)18/h7-8,10,19H,2,6,9,11-12H2,1,3-5H3
InChIKeyQFXUJFURSBCVOI-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
2-methyl-N-[(2-prop-2-enoxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63062650
1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine
CID 54930737
1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine
CID 60906344
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine (CID 63501385) is N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine is C=C(Br)COc1cc(OCCC)ccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QFXUJFURSBCVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-6-9-20-15-8-7-14(11-19-17(3,4)5)16(10-15)21-12-13(2)18/h7-8,10,19H,2,6,9,11-12H2,1,3-5H3.
What are the key properties of N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63501385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).