N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline

C15H13BrFNO — CID 70271998

IUPACN-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline
SMILESC=C(Nc1cccc(OC)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-7-15(17)14(16)8-11)18-12-4-3-5-13(9-12)19-2/h3-9,18H,1H2,2H3
InChIKeyMEOYMKFKUKTBAC-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.68
Rot. Bonds4

About N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline

N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline (PubChem CID 70271998) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline
PubChem CID70271998
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline
SMILESC=C(Nc1cccc(OC)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H13BrFNO/c1-10(11-6-7-15(17)14(16)8-11)18-12-4-3-5-13(9-12)19-2/h3-9,18H,1H2,2H3
InChIKeyMEOYMKFKUKTBAC-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-methoxybenzyl)aniline
CID 775227
3-bromo-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 25176085
(3-Bromo-4-methoxybenzyl)(3-fluorophenyl)amine
CID 784216
N-(3-bromo-4-methoxybenzyl)-N-(4-methylphenyl)amine
CID 900364
N-(3-Bromo-4-methoxybenzyl)aniline
CID 766807
N-{3-[(4-fluorobenzyl)oxy]phenyl}acetamide
CID 2953639
N-(3-methoxyphenyl)-2-methylaniline
CID 791041
N-(5-bromo-2-methoxybenzyl)aniline
CID 781277
(5-Bromo-2-methoxybenzyl)(3-fluorophenyl)amine
CID 784248
Benzenecarbothioamide, 3-bromo-N-(4-methoxyphenyl)-
CID 3001421
4-Bromo-2-({[3-(trifluoromethoxy)phenyl]amino}methyl)phenol
CID 51047305
[3-(Trifluoromethyl)phenyl](3-methoxyphenyl)amine
CID 82537028

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline (CID 70271998) is N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline is C=C(Nc1cccc(OC)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline?
The InChIKey is MEOYMKFKUKTBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10(11-6-7-15(17)14(16)8-11)18-12-4-3-5-13(9-12)19-2/h3-9,18H,1H2,2H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline?
N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline has a molecular weight of 322.18 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethenyl]-3-methoxyaniline is sourced from PubChem (CID 70271998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).