1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

C15H21BrFNO — CID 79708965

IUPAC1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1cc(F)cc(Br)c1)CC1CCCO1
InChIInChI=1S/C15H21BrFNO/c1-2-18-14(10-15-4-3-5-19-15)8-11-6-12(16)9-13(17)7-11/h6-7,9,14-15,18H,2-5,8,10H2,1H3
InChIKeyFHQHUZCVYBYITK-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.68
Rot. Bonds6

About 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 79708965) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID79708965
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1cc(F)cc(Br)c1)CC1CCCO1
InChIInChI=1S/C15H21BrFNO/c1-2-18-14(10-15-4-3-5-19-15)8-11-6-12(16)9-13(17)7-11/h6-7,9,14-15,18H,2-5,8,10H2,1H3
InChIKeyFHQHUZCVYBYITK-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198583
1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
CID 104804014
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 105015601
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 114931834
1-(3-bromo-5-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169189
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 79709136
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (CID 79708965) is 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is CCNC(Cc1cc(F)cc(Br)c1)CC1CCCO1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is FHQHUZCVYBYITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-18-14(10-15-4-3-5-19-15)8-11-6-12(16)9-13(17)7-11/h6-7,9,14-15,18H,2-5,8,10H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 330.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 79708965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).