1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine

C10H13BrFN — CID 107859641

IUPAC1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCC(CBr)NCc1ccccc1F
InChIInChI=1S/C10H13BrFN/c1-8(6-11)13-7-9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3
InChIKeyUHHYBSKUUODXRR-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.70
Rot. Bonds4

About 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine

1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine (PubChem CID 107859641) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
PubChem CID107859641
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine
SMILESCC(CBr)NCc1ccccc1F
InChIInChI=1S/C10H13BrFN/c1-8(6-11)13-7-9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3
InChIKeyUHHYBSKUUODXRR-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
1-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 43696028
1-ethylsulfanyl-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 115660784
N-[(2-fluorophenyl)methyl]but-3-en-2-amine
CID 115691124
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
ethane;(2-fluorophenyl)methylhydrazine
CID 142817687
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
1-bromo-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 107859566
1-(2,4-dibromophenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 60781421
2-[(2-fluorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
CID 163331541

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine (CID 107859641) is 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine is CC(CBr)NCc1ccccc1F.
What is the InChIKey of 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is UHHYBSKUUODXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-8(6-11)13-7-9-4-2-3-5-10(9)12/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine?
1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 246.12 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 107859641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).