N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline

C17H19BrFNO — CID 102849008

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFNO/c1-12(15-8-7-14(18)11-16(15)19)20-17-6-4-3-5-13(17)9-10-21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyKXCGZAOYBBVUOW-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.95
Rot. Bonds6

About N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline

N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline (PubChem CID 102849008) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
PubChem CID102849008
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C17H19BrFNO/c1-12(15-8-7-14(18)11-16(15)19)20-17-6-4-3-5-13(17)9-10-21-2/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyKXCGZAOYBBVUOW-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102848913
2-[1-[2-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-nitroaniline
CID 82963521
2,4-dibromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-5-methoxyaniline
CID 103411845
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline (CID 102849008) is N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NC(C)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
The InChIKey is KXCGZAOYBBVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-12(15-8-7-14(18)11-16(15)19)20-17-6-4-3-5-13(17)9-10-21-2/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline?
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline has a molecular weight of 352.25 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102849008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).