N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H20BrNO — CID 63553106

IUPACN-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-13(2)11-19-12-14-5-3-4-6-17(14)20-16-9-7-15(18)8-10-16/h3-10,13,19H,11-12H2,1-2H3
InChIKeyGVYQOFUBMRFLDH-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.99
Rot. Bonds6

About N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63553106) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63553106
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1Oc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-13(2)11-19-12-14-5-3-4-6-17(14)20-16-9-7-15(18)8-10-16/h3-10,13,19H,11-12H2,1-2H3
InChIKeyGVYQOFUBMRFLDH-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107285197
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552547
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552912
1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl)methylamino]ethanol
CID 23647934
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63553106) is N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccccc1Oc1ccc(Br)cc1.
What is the InChIKey of N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GVYQOFUBMRFLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(2)11-19-12-14-5-3-4-6-17(14)20-16-9-7-15(18)8-10-16/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63553106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).