3-bromo-N-[1-(4-fluorophenyl)propyl]aniline

C15H15BrFN — CID 43098307

IUPAC3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c1-2-15(11-6-8-13(17)9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15,18H,2H2,1H3
InChIKeyRRHNQXPWQAFYHA-UHFFFAOYSA-N
MW308.19 g/mol
LogP5.15
Rot. Bonds4

About 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline

3-bromo-N-[1-(4-fluorophenyl)propyl]aniline (PubChem CID 43098307) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
PubChem CID43098307
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFN/c1-2-15(11-6-8-13(17)9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15,18H,2H2,1H3
InChIKeyRRHNQXPWQAFYHA-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.19
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
N-[1-(4-fluorophenyl)propyl]-3-(trifluoromethyl)aniline
CID 43095598
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
N-[1-(3-bromophenyl)propyl]-3-ethoxyaniline
CID 63453492
N-[3-[1-(4-fluorophenyl)propylamino]phenyl]-2-hydroxyacetamide
CID 56794102
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614
3-(3-bromoanilino)-1-(4-fluorophenyl)-3-phenylpropan-1-one
CID 2975163
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline?
The IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline (CID 43098307) is 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline is CCC(Nc1cccc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline?
The InChIKey is RRHNQXPWQAFYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-15(11-6-8-13(17)9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15,18H,2H2,1H3.
What are the key properties of 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline?
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline has a molecular weight of 308.19 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 43098307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).