2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline

C12H15BrFNO — CID 102975818

IUPAC2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESFc1ccc(Br)c(NCCC2CCCO2)c1
InChIInChI=1S/C12H15BrFNO/c13-11-4-3-9(14)8-12(11)15-6-5-10-2-1-7-16-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyPRQRPHNDQDRORL-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.57
Rot. Bonds4

About 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline

2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline (PubChem CID 102975818) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
PubChem CID102975818
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
SMILESFc1ccc(Br)c(NCCC2CCCO2)c1
InChIInChI=1S/C12H15BrFNO/c13-11-4-3-9(14)8-12(11)15-6-5-10-2-1-7-16-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyPRQRPHNDQDRORL-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
N-[(2-bromo-4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 60766476
4-bromo-2,6-difluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65467440
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163343
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
4-fluoro-2-nitro-N-[2-(oxan-2-yl)ethyl]aniline
CID 103990759
4-bromo-5-fluoro-2-nitro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 66109877
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
4-bromo-N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethoxy)aniline
CID 103193120
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline (CID 102975818) is 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline is Fc1ccc(Br)c(NCCC2CCCO2)c1.
What is the InChIKey of 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
The InChIKey is PRQRPHNDQDRORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-4-3-9(14)8-12(11)15-6-5-10-2-1-7-16-10/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline?
2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline has a molecular weight of 288.16 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline is sourced from PubChem (CID 102975818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).