1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine

C13H17BrFNO — CID 21196152

IUPAC1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1COCc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO/c1-16-6-9-4-10(9)7-17-8-11-5-12(14)2-3-13(11)15/h2-3,5,9-10,16H,4,6-8H2,1H3
InChIKeyHMOPDFXYVYAZSL-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.96
Rot. Bonds6

About 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine

1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine (PubChem CID 21196152) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine
PubChem CID21196152
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1COCc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO/c1-16-6-9-4-10(9)7-17-8-11-5-12(14)2-3-13(11)15/h2-3,5,9-10,16H,4,6-8H2,1H3
InChIKeyHMOPDFXYVYAZSL-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[[(1S,2S)-2-(bromomethyl)cyclopropyl]methoxymethyl]-1-fluorobenzene
CID 59958673
4-bromo-2-(but-2-ynoxymethyl)-1-fluorobenzene
CID 140982460
4-bromo-2-[[(E)-but-2-enoxy]methyl]-1-fluorobenzene
CID 173323891
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457986
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
3-[(5-bromo-2-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199692
(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine (CID 21196152) is 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine is CNCC1CC1COCc1cc(Br)ccc1F.
What is the InChIKey of 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine?
The InChIKey is HMOPDFXYVYAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-16-6-9-4-10(9)7-17-8-11-5-12(14)2-3-13(11)15/h2-3,5,9-10,16H,4,6-8H2,1H3.
What are the key properties of 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine?
1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine has a molecular weight of 302.19 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-2-fluorophenyl)methoxymethyl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 21196152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).