1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine

C11H15BrFNO — CID 81105522

IUPAC1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCCCF
InChIInChI=1S/C11H15BrFNO/c1-14-8-9-7-10(12)3-4-11(9)15-6-2-5-13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyIRLRDDGVYSBSTJ-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.91
Rot. Bonds6

About 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine

1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine (PubChem CID 81105522) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
PubChem CID81105522
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCCCF
InChIInChI=1S/C11H15BrFNO/c1-14-8-9-7-10(12)3-4-11(9)15-6-2-5-13/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyIRLRDDGVYSBSTJ-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
6-[4-bromo-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708771
1-[5-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106721991
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]-N-methylmethanamine
CID 60891835
3-[4-bromo-2-(methylaminomethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63901635
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine (CID 81105522) is 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine is CNCc1cc(Br)ccc1OCCCF.
What is the InChIKey of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine?
The InChIKey is IRLRDDGVYSBSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-14-8-9-7-10(12)3-4-11(9)15-6-2-5-13/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine?
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine has a molecular weight of 276.15 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81105522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).