N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine

C15H17BrFNO — CID 62699285

IUPACN-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)c1ccco1
InChIInChI=1S/C15H17BrFNO/c1-2-7-18-14(15-4-3-8-19-15)9-11-5-6-12(16)10-13(11)17/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyKVEVHYUYOXAIND-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine

N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 62699285) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID62699285
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)c1ccco1
InChIInChI=1S/C15H17BrFNO/c1-2-7-18-14(15-4-3-8-19-15)9-11-5-6-12(16)10-13(11)17/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyKVEVHYUYOXAIND-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790489
N-[2-(4-bromo-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115844669
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[2-(3-bromo-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 79709374
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanol
CID 62715953
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403419
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine (CID 62699285) is N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1F)c1ccco1.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is KVEVHYUYOXAIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-2-7-18-14(15-4-3-8-19-15)9-11-5-6-12(16)10-13(11)17/h3-6,8,10,14,18H,2,7,9H2,1H3.
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62699285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).