1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine

C15H22BrNO2 — CID 65457314

IUPAC1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)cc(Br)c1OCC1CCC1
InChIInChI=1S/C15H22BrNO2/c1-3-18-14-8-12(9-17-2)7-13(16)15(14)19-10-11-5-4-6-11/h7-8,11,17H,3-6,9-10H2,1-2H3
InChIKeyNOTIUCJJUHTLCC-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.75
Rot. Bonds7

About 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine

1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine (PubChem CID 65457314) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
PubChem CID65457314
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)cc(Br)c1OCC1CCC1
InChIInChI=1S/C15H22BrNO2/c1-3-18-14-8-12(9-17-2)7-13(16)15(14)19-10-11-5-4-6-11/h7-8,11,17H,3-6,9-10H2,1-2H3
InChIKeyNOTIUCJJUHTLCC-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5-(bromomethyl)-2-(cyclobutylmethoxy)-3-ethoxybenzene
CID 65459224
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
N-[[3-bromo-4-(cyclopropylmethoxy)-5-ethoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062834
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]butan-2-amine
CID 65459083
5-[[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60887163
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
1-[3-bromo-4-[(E)-but-2-enoxy]-5-ethoxyphenyl]-N-methylmethanamine
CID 60889104
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
3-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]oxolan-2-one
CID 60889471
1-[3,5-dibromo-4-(cyclopropylmethoxymethoxy)phenyl]-N-methylmethanamine
CID 107741896

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine (CID 65457314) is 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine is CCOc1cc(CNC)cc(Br)c1OCC1CCC1.
What is the InChIKey of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine?
The InChIKey is NOTIUCJJUHTLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-18-14-8-12(9-17-2)7-13(16)15(14)19-10-11-5-4-6-11/h7-8,11,17H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine?
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 65457314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).