2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine

C12H17BrFN — CID 115876821

IUPAC2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
SMILESCC(CNCCCF)c1cccc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-10(9-15-7-3-6-14)11-4-2-5-12(13)8-11/h2,4-5,8,10,15H,3,6-7,9H2,1H3
InChIKeySEVOCMJJDUYHIN-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.50
Rot. Bonds6

About 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine

2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine (PubChem CID 115876821) has the molecular formula C12H17BrFN and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
PubChem CID115876821
Molecular FormulaC12H17BrFN
Molecular Weight274.18 g/mol
Exact Mass273.05
IUPAC Name2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
SMILESCC(CNCCCF)c1cccc(Br)c1
InChIInChI=1S/C12H17BrFN/c1-10(9-15-7-3-6-14)11-4-2-5-12(13)8-11/h2,4-5,8,10,15H,3,6-7,9H2,1H3
InChIKeySEVOCMJJDUYHIN-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
2-(3-bromophenyl)propane-1-thiol
CID 115038075
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
CID 122038180
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961922
4-(3-bromophenyl)pentan-2-amine
CID 83912731
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
CID 22401835
CID 22401835

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine (CID 115876821) is 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine is CC(CNCCCF)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine?
The InChIKey is SEVOCMJJDUYHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN/c1-10(9-15-7-3-6-14)11-4-2-5-12(13)8-11/h2,4-5,8,10,15H,3,6-7,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine?
2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine has a molecular weight of 274.18 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine is sourced from PubChem (CID 115876821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).