3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline

C17H19BrFNO — CID 114829477

IUPAC3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NC(C)Cc1ccccc1F
InChIInChI=1S/C17H19BrFNO/c1-12(10-13-6-3-4-8-16(13)19)20-17-9-5-7-15(18)14(17)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFOSSAPYNGQCERT-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.78
Rot. Bonds6

About 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline

3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline (PubChem CID 114829477) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
PubChem CID114829477
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NC(C)Cc1ccccc1F
InChIInChI=1S/C17H19BrFNO/c1-12(10-13-6-3-4-8-16(13)19)20-17-9-5-7-15(18)14(17)11-21-2/h3-9,12,20H,10-11H2,1-2H3
InChIKeyFOSSAPYNGQCERT-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
3-bromo-N-[1-(2-chlorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452786
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 114828808
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
5-[1-[3-bromo-2-(methoxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107706265
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452354
3-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452652
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline (CID 114829477) is 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline.
What is the SMILES notation for 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The canonical SMILES for 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline is COCc1c(Br)cccc1NC(C)Cc1ccccc1F.
What is the InChIKey of 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
The InChIKey is FOSSAPYNGQCERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(10-13-6-3-4-8-16(13)19)20-17-9-5-7-15(18)14(17)11-21-2/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline?
3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline has a molecular weight of 352.25 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 114829477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).