1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine

C13H20BrNO2 — CID 66533821

IUPAC1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine
SMILESCCOc1cc(CNC)c(Br)cc1OC(C)C
InChIInChI=1S/C13H20BrNO2/c1-5-16-12-6-10(8-15-4)11(14)7-13(12)17-9(2)3/h6-7,9,15H,5,8H2,1-4H3
InChIKeyIIVKZQWROMHSHA-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.35
Rot. Bonds6

About 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine

1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine (PubChem CID 66533821) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine
PubChem CID66533821
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine
SMILESCCOc1cc(CNC)c(Br)cc1OC(C)C
InChIInChI=1S/C13H20BrNO2/c1-5-16-12-6-10(8-15-4)11(14)7-13(12)17-9(2)3/h6-7,9,15H,5,8H2,1-4H3
InChIKeyIIVKZQWROMHSHA-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 66525625
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 66533835
2-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 66533872
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66533939
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 66544608
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 66544689
2-[3-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66538402
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66533789
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66544923
N-[4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66544844
4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 66545004
1-N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]tetrazole-1,5-diamine
CID 66544764

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine (CID 66533821) is 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine is CCOc1cc(CNC)c(Br)cc1OC(C)C.
What is the InChIKey of 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine?
The InChIKey is IIVKZQWROMHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-5-16-12-6-10(8-15-4)11(14)7-13(12)17-9(2)3/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine?
1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine has a molecular weight of 302.21 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 66533821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).