N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine

C16H19BrFNO2 — CID 81296846

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1cc(Br)ccc1F
InChIInChI=1S/C16H19BrFNO2/c1-12(15-10-13(17)5-6-16(15)18)19-7-3-8-20-11-14-4-2-9-21-14/h2,4-6,9-10,12,19H,3,7-8,11H2,1H3
InChIKeyRLOWZTXNHCGIFV-UHFFFAOYSA-N
MW356.24 g/mol
LogP4.44
Rot. Bonds8

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 81296846) has the molecular formula C16H19BrFNO2 and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID81296846
Molecular FormulaC16H19BrFNO2
Molecular Weight356.24 g/mol
Exact Mass355.06
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1cc(Br)ccc1F
InChIInChI=1S/C16H19BrFNO2/c1-12(15-10-13(17)5-6-16(15)18)19-7-3-8-20-11-14-4-2-9-21-14/h2,4-6,9-10,12,19H,3,7-8,11H2,1H3
InChIKeyRLOWZTXNHCGIFV-UHFFFAOYSA-N
XLogP4.44
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43110405
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721526
3-(furan-2-ylmethoxy)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43205758
N-[3-(furan-2-ylmethoxy)propyl]-3-methoxybutan-2-amine
CID 115707867
N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
N-[1-[4-bromo-2-(furan-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82975485
3-(furan-2-ylmethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 64993148
1-[1-(2,5-difluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 87038251
3-(furan-2-ylmethoxy)-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43363264
1-(5-bromo-2-fluorophenyl)-N-(2-but-3-enoxyethyl)ethanamine
CID 113349199
4-bromo-N-[2-(furan-2-ylmethoxy)ethyl]aniline
CID 55088628

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine (CID 81296846) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine is CC(NCCCOCc1ccco1)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is RLOWZTXNHCGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO2/c1-12(15-10-13(17)5-6-16(15)18)19-7-3-8-20-11-14-4-2-9-21-14/h2,4-6,9-10,12,19H,3,7-8,11H2,1H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 356.24 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 81296846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).