3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine

C10H13BrFNO — CID 62344228

IUPAC3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine
SMILESNCCCOCc1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13/h2-3,6H,1,4-5,7,13H2
InChIKeyKLQWLJATUWBKPH-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.45
Rot. Bonds5

About 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine

3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine (PubChem CID 62344228) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine
PubChem CID62344228
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine
SMILESNCCCOCc1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13/h2-3,6H,1,4-5,7,13H2
InChIKeyKLQWLJATUWBKPH-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.45
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

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CID 63457543
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CID 164578261
4-[(4-bromo-2-fluorophenyl)methoxymethyl]aniline
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(2S)-2-[(4-bromo-2-fluorophenyl)methoxymethyl]oxirane
CID 97180097
[3-fluoro-4-(3-methoxypropoxymethyl)phenyl]methanamine
CID 60919309
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
5-(3-aminopropoxy)-2-[(4-bromo-2-fluorophenyl)methyl]pyridazin-3-one
CID 103223196
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
3-fluoro-4-(3-methoxypropoxymethyl)aniline
CID 64768894
N-[(4-bromo-2-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 43242817

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine (CID 62344228) is 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine is NCCCOCc1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine?
The InChIKey is KLQWLJATUWBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13/h2-3,6H,1,4-5,7,13H2.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine?
3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methoxy]propan-1-amine is sourced from PubChem (CID 62344228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).